CAS RN: 129189-42-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H88N18O20S
MOLECULAR WEIGHT: 1485.57852
SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCC(=O)NCC(=O)O)NC(=O)CNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C
Structure:
CAS RN: 127761-72-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C68H88FN13O27
MOLECULAR WEIGHT: 1538.495623
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNCC4=CC(=C(C=C4[N+](=O)[O-])
Structure:
CAS RN: 126741-07-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C84H129N29O16
MOLECULAR WEIGHT: 1801.10776
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2C=NC=N2)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=CC
Structure:
CAS RN: 125970-74-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C113H111N3O25
MOLECULAR WEIGHT: 1911.09554
SMILES: COC1=CC=C(C=C1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC=C)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)COCC=C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COCC1=CC=CC=C1)OCC1=CC=CC=C1)O
Structure:
CAS RN: 125131-58-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C64H86N18O22S2
MOLECULAR WEIGHT: 1523.60504
SMILES: CSCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 124924-34-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C65H82N16O15S3
MOLECULAR WEIGHT: 1423.63978
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(=O)NC(CCCCNC(=S)NC3=CC4=C(C=C3)C(=O)OC45C6=CC=CC=C6OC7=CC=CC=C57)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Structure:
CAS RN: 123045-86-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C113H190N38O26
MOLECULAR WEIGHT: 2496.9567
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC
Structure:
CAS RN: 118643-58-6
CAS Name: (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxy-3-iodophenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]ami
OPENEYE Name: (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoyl]amino]acetyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-
IUPAC Name: (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]acetyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-o
SYSTEMATIC NAME: (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-sulfooxy-butanoyl]-[(2S)-2-azanyl-3-(4-nitrophenyl)propanoyl]
MOLECULAR FORMULA: C62H76IN13O21S
MOLECULAR WEIGHT: 1498.31081
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)OS(=O)(=O)O)C(=O)N(C(=O)[C@H](CC3=CC=C(C=C3)[N+](=O)[O-])N)C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CC4=CC(=C(C=C4)O)I)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)N
Structure:
CAS RN: 115136-01-1
CAS Name: (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-o
OPENEYE Name: (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-su
IUPAC Name: (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-su
SYSTEMATIC NAME: (3S)-3-[2-[[(2R)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidan
MOLECULAR FORMULA: C62H77N13O21S
MOLECULAR WEIGHT: 1372.41428
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)OS(=O)(=O)O)C(=O)N(C(=O)[C@H](CC3=CC=C(C=C3)[N+](=O)[O-])N)C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CC4=CC=C(C=C4)O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)N
Structure:
CAS RN: 110882-81-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C81H84Cl2N8O29
MOLECULAR WEIGHT: 1704.47586
SMILES: CCCCCCCCCC(=O)NC1C(C(C(C(O1)OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=CC(=CC(=C7C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)C(C(=O)NC(CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C(=O)O)O)Cl)C(=O)O)O)O
Structure:
CAS RN: 110014-25-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C74H93N15O13
MOLECULAR WEIGHT: 1400.62292
SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C
Structure:
CAS RN: 107978-80-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C139H219N45O39
MOLECULAR WEIGHT: 3144.50426
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN
Structure:
CAS RN: 64717-18-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C97H150N28O32
MOLECULAR WEIGHT: 2220.3973
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)OC(=O)[C@H](CO)NC(=O)[C@H](CO)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC
Structure:
CAS RN: 59189-13-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C108H172N32O23S
MOLECULAR WEIGHT: 2318.78688
SMILES: CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C
Structure:
CAS RN: 58798-97-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H51N15O15S
MOLECULAR WEIGHT: 1146.10714
SMILES: C/C=C/1\C2=NC(=C(O2)C)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O
Structure:
CAS RN: 13454-72-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: CeO9P3
MOLECULAR WEIGHT: 377.031883
SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O.[Ce+3]
Structure:
CAS RN: 55106-64-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C62H42FeN4O12
MOLECULAR WEIGHT: 1090.86148
SMILES: C1COC(=O)C2=CC3=C4C=C2C(=O)OCCOC5=CC=CC=C5C6=C7C=CC(=C(C8=NC(=C(C9=CC=CC=C9OCCOC3=O)C2=CC=C([N-]2)C(=C2C=CC6=N2)C2=CC=CC=C2OCCOC4=O)C=C8)C2=CC=CC=C2O1)[N-]7.[Fe+2]
Structure:
CAS RN: 2425-84-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C68H54O19
MOLECULAR WEIGHT: 1175.14496
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@](O2)(COC(=O)C3=CC=CC=C3)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1
Structure:
CAS RN: 154722-68-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C91H128N20O25
MOLECULAR WEIGHT: 1902.10902
SMILES: CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC
Structure:
CAS RN: 154099-03-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C82H129N27O14
MOLECULAR WEIGHT: 1717.07416
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)C4=CC=C(C=C4)
Structure:
CAS RN: 153440-04-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C108H112O20
MOLECULAR WEIGHT: 1730.03288
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O1)O5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=
Structure:
CAS RN: 152846-72-5
CAS Name: 2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpro
OPENEYE Name: 2-amino-N-[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl
IUPAC Name: 2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl
SYSTEMATIC NAME: 2-azanyl-N-[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-
MOLECULAR FORMULA: C56H73N15O14
MOLECULAR WEIGHT: 1180.27092
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C(CC(=O)N)N
Structure:
CAS RN: 149695-85-2
CAS Name: N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[3-oxo-6'-[[(2S)-1-oxo-1-[[(2S)-1-oxo-2-[[(2S)-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propyl]amino]propyl]amino]propan-2-yl]amino]-3'-spiro[isobenzofuran-1,9'-xanthene]
OPENEYE Name: benzyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[6'-[[(1S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]-1-methyl-2-oxo-
IUPAC Name: benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[3-oxo-6'-[[(2S)-1-oxo-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propan-2-yl]amino]spiro[2-benzofuran-1,9'-xanthene]-3'-yl]
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[3-oxidanylidene-6'-[[(2S)-1-oxidanylidene-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propan
MOLECULAR FORMULA: C60H66N10O15
MOLECULAR WEIGHT: 1167.22404
SMILES: C[C@@H](C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7C(=O)O4
Structure:
CAS RN: 147138-51-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C136H209N41O34
MOLECULAR WEIGHT: 2962.36896
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3C=NC
Structure:
CAS RN: 146190-75-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C68H52N8Zn+4
MOLECULAR WEIGHT: 1046.60308
SMILES: C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC=[N+](C=C8)CC9=CC=CC=C9)C1=CC=[N+](C=C1)CC1=CC=CC=C1)C=C5)C1=CC=[N+](C=C1)CC1=CC=CC=C1)[N-]4.[Zn+2]
Structure:
CAS RN: 145763-36-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C68H54N8+4
MOLECULAR WEIGHT: 983.20996
SMILES: C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=[N+](C=C8)CC9=CC=CC=C9)C1=CC=[N+](C=C1)CC1=CC=CC=C1)C=C5)C1=CC=[N+](C=C1)CC1=CC=CC=C1)N4
Structure:
CAS RN: 57997-72-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C138H181N33O30
MOLECULAR WEIGHT: 2782.11684
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O
Structure:
CAS RN: 157452-74-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C123H196N44O38S3
MOLECULAR WEIGHT: 2995.33934
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C=S)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC2C=NC=N2)C(=O)OC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3
Structure:
CAS RN: 156625-63-7
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymeth
OPENEYE Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetoxy-2-[[(2S,3R,4S,5R,6R)-3,4-dibenzyloxy-6-(benzyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-6-phenylsulfan
IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-phenylsul
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-6-phenylsu
MOLECULAR FORMULA: C91H100O26S
MOLECULAR WEIGHT: 1641.8171
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)SC3=CC=CC=C3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OC
Structure:
CAS RN: 252348-70-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C156H250N42O43S
MOLECULAR WEIGHT: 3433.9748
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CC2=CNC=N2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC
Structure:
CAS RN: 160275-36-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C116H200N34O36S
MOLECULAR WEIGHT: 2679.1004
SMILES: CCC(C)[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)O)C
Structure:
CAS RN: 161247-62-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C116H200N34O36S
MOLECULAR WEIGHT: 2679.1004
SMILES: CCC(C)[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)O)C
Structure:
CAS RN: 156548-23-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C113H179N33O34
MOLECULAR WEIGHT: 2543.83106
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)OC(=O)[C@@]2(CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O
Structure:
CAS RN: 135048-17-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C73H97ClN16O18S2
MOLECULAR WEIGHT: 1586.23068
SMILES: C[C@H](C1C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl)CC(=O)N)CCCCN)NC(=O)C)C(=O)O)CO)[C@@H](C)O)CC6=CC=CC=C
Structure:
CAS RN: 122585-40-4
CAS Name: (E)-1-(2,4-dihydroxyphenyl)-3-[(2R)-3-[(R)-(2,4-dihydroxyphenyl)-[5-[(2R,3S,4S,5S)-4-[(2,4-dihydroxyphenyl)-oxomethyl]-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxolanyl]-2,4-dihydroxyphenyl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-yl]-
OPENEYE Name: (E)-3-[(2R)-3-[(R)-[5-[(2R,3S,4S,5S)-4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]tetrahydrofuran-2-yl]-2,4-dihydroxy-phenyl]-(2,4-dihydroxyphenyl)methyl]-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-yl]-1-(2,4-dihydroxyphenyl)pr
IUPAC Name: (E)-3-[(2R)-3-[(R)-[5-[(2R,3S,4S,5S)-4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en
SYSTEMATIC NAME: (E)-1-[2,4-bis(oxidanyl)phenyl]-3-[(2R)-3-[(R)-[2,4-bis(oxidanyl)phenyl]-[5-[(2R,3S,4S,5S)-4-[2,4-bis(oxidanyl)phenyl]carbonyl-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-bis(oxidanyl)phenyl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-be
MOLECULAR FORMULA: C60H48O15
MOLECULAR WEIGHT: 1009.01412
SMILES: C1=CC(=CC=C1C[C@H]2[C@@H]([C@H](O[C@H]2C3=CC(=C(C=C3O)O)[C@H](C4[C@@H](OC5=C4C=C(C=C5)/C=C/C(=O)C6=C(C=C(C=C6)O)O)C7=CC=C(C=C7)O)C8=C(C=C(C=C8)O)O)C9=CC=C(C=C9)O)C(=O)C1=C(C=C(C=C1)O)O)O
Structure:
CAS RN: 72751-56-5
CAS Name: 2-amino-3-methylbutanoic acid [2-[[1-[2-[[8-amino-4,6-dimethyl-7-oxo-1,9-bis[oxo-[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]amino]methyl]-3-phenoxazinyl]amino]-2-oxoethoxy]-3-methyl-1
OPENEYE Name: [2-[[1-[2-[[8-amino-1,9-bis[(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)carbamoyl]-4,6-dimethyl-7-oxo-phenoxazin-3-yl]amino]-2-oxo-ethoxy]carbonyl-2-methyl-propyl]amino]-2-oxo-ethyl] 2-amin
IUPAC Name: [2-[[1-[2-[[8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl]amino]-2-oxoethoxy]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl] 2-am
SYSTEMATIC NAME: [2-[[1-[2-[[8-azanyl-4,6-dimethyl-7-oxidanylidene-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl]amino]-2-oxidanylidene-ethoxy]-3-methyl-1-
MOLECULAR FORMULA: C76H109N15O22
MOLECULAR WEIGHT: 1584.76596
SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NC(=O)COC(=O)C(C(C)C)NC(=O)COC(=O)C(C(C)C)N
Structure:
CAS RN: 95045-15-1
CAS Name: 7-amino-9,11-dimethyl-8-oxo-2-phenyl-N4,N6-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
OPENEYE Name: 7-amino-N4,N6-bis(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-9,11-dimethyl-8-oxo-2-phenyl-oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
IUPAC Name: 7-amino-9,11-dimethyl-8-oxo-2-phenyl-4-N,6-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
SYSTEMATIC NAME: 7-azanyl-9,11-dimethyl-8-oxidanylidene-2-phenyl-N4,N6-bis[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
MOLECULAR FORMULA: C69H89N13O17
MOLECULAR WEIGHT: 1372.52186
SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C6=C(C(=C5O4)C)OC(=N6)C7=CC=CC=C7)C(=O)NC8C(OC(=O)C(N(C(=O)CN(C(=O)C9CCCN9C(=O)C(NC8=O)C(C)C)C)C)C(C)C)C)C)N
Structure:
CAS RN: 106200-27-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C103H146O59
MOLECULAR WEIGHT: 2328.22594
SMILES: CC(C)CC(C)(CCCC(C)C/C=C/C(=C/C(=O)O)/C)OC.CC(=O)OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC(=O)C)OC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC(=O)C)OC(=O)C)O[C@@H]6[C@H](O[
Structure:
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