CAS RN: 98791-32-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C106H157N23O28
MOLECULAR WEIGHT: 2201.51808
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=
Structure:
CAS RN: 7790-53-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: KO3P
MOLECULAR WEIGHT: 118.070261
SMILES: [O-]P(=O)=O.[K+]
Structure:
CAS RN: 12764-57-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: KO3P
MOLECULAR WEIGHT: 118.070261
SMILES: [O-]P(=O)=O.[K+]
Structure:
CAS RN: 151901-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: KO3P
MOLECULAR WEIGHT: 118.070261
SMILES: [O-]P(=O)=O.[K+]
Structure:
CAS RN: 10361-03-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: NaO3P
MOLECULAR WEIGHT: 101.961731
SMILES: [O-]P(=O)=O.[Na+]
Structure:
CAS RN: 1313-95-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: NaO3P
MOLECULAR WEIGHT: 101.961731
SMILES: [O-]P(=O)=O.[Na+]
Structure:
CAS RN: 14550-21-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: NaO3P
MOLECULAR WEIGHT: 101.961731
SMILES: [O-]P(=O)=O.[Na+]
Structure:
CAS RN: 35270-09-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: NaO3P
MOLECULAR WEIGHT: 101.961731
SMILES: [O-]P(=O)=O.[Na+]
Structure:
CAS RN: 857801-56-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: NaO3P
MOLECULAR WEIGHT: 101.961731
SMILES: [O-]P(=O)=O.[Na+]
Structure:
CAS RN: 331714-57-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C159H248N48O55S6
MOLECULAR WEIGHT: 3904.34902
SMILES: CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]6CSSC[C@@H](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)N1)C(C
Structure:
CAS RN: 75037-27-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C137H207N41O39S3
MOLECULAR WEIGHT: 3148.55578
SMILES: C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](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=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCC
Structure:
CAS RN: 304853-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C149H249N47O42
MOLECULAR WEIGHT: 3370.86106
SMILES: CCCCCCCC(=O)OC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C
Structure:
CAS RN: 125692-40-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C121H168N26O33S4
MOLECULAR WEIGHT: 2643.04302
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC6=CC=C(
Structure:
CAS RN: 129774-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C121H168N26O33S4
MOLECULAR WEIGHT: 2643.04302
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC6=CC=C(
Structure:
CAS RN: 170809-51-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C161H269N49O42
MOLECULAR WEIGHT: 3563.16166
SMILES: CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)CC2=CNC=N2)C(=O)N[C@@H](C
Structure:
CAS RN: 114466-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C151H252N44O45S
MOLECULAR WEIGHT: 3435.94938
SMILES: CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N
Structure:
CAS RN: 60189-34-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C138H214N40O33S
MOLECULAR WEIGHT: 2993.48896
SMILES: CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C
Structure:
CAS RN: 7234-61-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C124H118N8Ni2
MOLECULAR WEIGHT: 1837.70412
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC5=C(C6=C(C=C(C=C6)C(C)(C)C)C7(C5=C4)CC=C8C9=C(C=CC(=C9)C(C)(C)C)C1=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C6C7=C8C1=N6)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C=C5)C1=CC=C(C=C1)C(C)(C)C)[N-]4)C1=CC=C([N-]1)C(=C1C=CC
Structure:
CAS RN: 7240-50-8
CAS Name: potassium; 1,4,7,10,13,16-hexaoxacyclooctadecane; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
OPENEYE Name: potassium; 1,4,7,10,13,16-hexaoxacyclooctadecane; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
IUPAC Name: potassium; 1,4,7,10,13,16-hexaoxacyclooctadecane; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SYSTEMATIC NAME: potassium; 1,4,7,10,13,16-hexaoxacyclooctadecane; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C22H39KO6
MOLECULAR WEIGHT: 438.63976
SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C1COCCOCCOCCOCCOCCO1.[K+]
Structure:
CAS RN: 7232-74-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H3F6PS2
MOLECULAR WEIGHT: 308.2036
SMILES: C1=CC(=C(C(=C1)C(F)(F)F)P(=S)=S)C(F)(F)F
Structure:
CAS RN: 4943-74-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H34CuN2S4+6
MOLECULAR WEIGHT: 542.34616
SMILES: C1CN(CCC1C2=CC=CC=C2)C(=[SH+])[SH2+].C1CN(CCC1C2=CC=CC=C2)C(=[SH+])[SH2+].[Cu+2]
Structure:
CAS RN: 71952-90-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C79H111N21O20S
MOLECULAR WEIGHT: 1706.92034
SMILES: CC(C)C(C(=O)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(COC(=O)C)NC(=O)C
Structure:
CAS RN: 5265-20-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H38N2O6Ti+4
MOLECULAR WEIGHT: 666.58512
SMILES: CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=N2)[OH2+].C1=CC=C2C(=C1)C(=CC=N2)[OH2+].[Ti]
Structure:
CAS RN: 172890-84-5
CAS Name: 2-[5-[2-[5-[3-[4-[2-(acetyloxymethoxy)-2-oxoethyl]-1-piperazinyl]-3-oxopropyl]-2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-benzofuranyl]-5-oxazolecarboxylic acid acetyloxymethyl ester
OPENEYE Name: acetoxymethyl 2-[5-[2-[5-[3-[4-[2-(acetoxymethoxy)-2-oxo-ethyl]piperazin-1-yl]-3-oxo-propyl]-2-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]phenoxy]ethoxy]-6-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]benzofuran-2-yl]oxazole-5-carboxylate
IUPAC Name: acetyloxymethyl 2-[5-[2-[5-[3-[4-[2-(acetyloxymethoxy)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]-2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate
SYSTEMATIC NAME: acetyloxymethyl 2-[5-[2-[5-[3-[4-[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]phenoxy]ethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]-1-benzofu
MOLECULAR FORMULA: C55H63N5O29
MOLECULAR WEIGHT: 1258.10482
SMILES: CC(=O)OCOC(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC3=C(C=C4C(=C3)C=C(O4)C5=NC=C(O5)C(=O)OCOC(=O)C)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
Structure:
CAS RN: 36204-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H93N19O25
MOLECULAR WEIGHT: 1552.55692
SMILES: CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C3CCC(=O)N3
Structure:
CAS RN: 76622-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C139H217N33O40S
MOLECULAR WEIGHT: 3022.47238
SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)C(C(C)O)NC(=O)C(CCC(=O)N
Structure:
CAS RN: 59401-28-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C82H114N20O17S
MOLECULAR WEIGHT: 1683.97136
SMILES: CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)N)C(=O)N2CCCC2C(=O)NC(CCSC)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)NC(=O)C(CC7=CNC8=CC=CC=C87)N
Structure:
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