CAS RN: 57696-55-6
CAS Name: 4-[1,4-bis(4-morpholinyl)-6H-pyrido[3,4-d]pyridazin-7-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-(1,4-dimorpholino-6H-pyrido[3,4-d]pyridazin-7-ylidene)cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(1,4-dimorpholin-4-yl-6H-pyrido[3,4-d]pyridazin-7-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(1,4-dimorpholin-4-yl-6H-pyrido[3,4-d]pyridazin-7-ylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C21H23N5O3
MOLECULAR WEIGHT: 393.43902
SMILES: C1COCCN1C2=NN=C(C3=CNC(=C4C=CC(=O)C=C4)C=C32)N5CCOCC5
Structure:
CAS RN: 57607-36-0
CAS Name: acetic acid [6-[[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxany
OPENEYE Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl
IUPAC Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate; 3-[[
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan
MOLECULAR FORMULA: C62H90ClNO18
MOLECULAR WEIGHT: 1172.8269
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O.C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
Structure:
CAS RN: 56670-52-1
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[[(2S)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-o
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-ethylpyrrolidin-2-yl]carbonylamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(4
MOLECULAR FORMULA: C50H71N13O11
MOLECULAR WEIGHT: 1030.17924
SMILES: CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H]5CCC(=O)N5
Structure:
CAS RN: 55149-04-7
CAS Name: 4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate
IUPAC Name: ethyl 4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate
MOLECULAR FORMULA: C14H11N3O3
MOLECULAR WEIGHT: 269.25544
SMILES: CCOC(=O)C1=NC(=O)C2=CC3=CC=CC=C3N=C2N1
Structure:
CAS RN: 54369-21-0
CAS Name: 4-(4-chlorophenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
OPENEYE Name: 4-(4-chlorophenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
IUPAC Name: 4-(4-chlorophenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
MOLECULAR FORMULA: C14H14ClN3OS
MOLECULAR WEIGHT: 307.79846
SMILES: CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 53517-53-6
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-(1-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-(1-hydroxyethyl)-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-(1-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-(1-hydroxyethyl)-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H50O2
MOLECULAR WEIGHT: 430.7061
SMILES: C[C@H](CC[C@H](C(C)C)C(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 50769-45-4
CAS Name: (E)-3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]dioxy-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate
OPENEYE Name: (E)-3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]peroxy-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate
IUPAC Name: (E)-3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate
SYSTEMATIC NAME: (E)-3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]peroxy-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate
MOLECULAR FORMULA: C15H18N7O10P
MOLECULAR WEIGHT: 487.318081
SMILES: CCO/C(=C(\C(=O)OOP(=O)(O)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)/[N+]#N)/[O-]
Structure:
CAS RN: 50276-96-5
CAS Name: 2-[4-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-[4-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenoxy]phenyl]-5,7-dihydroxy-chromen-4-one
IUPAC Name: 2-[4-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[4-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenoxy]phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H18O10
MOLECULAR WEIGHT: 538.45792
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
Structure:
CAS RN: 41672-87-1
CAS Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-azanyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C26H33N3O11
MOLECULAR WEIGHT: 563.55372
SMILES: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O.C(C(CO)(CO)N)O
Structure:
CAS RN: 53101-42-1
CAS Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-azanyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C26H33N3O11
MOLECULAR WEIGHT: 563.55372
SMILES: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O.C(C(CO)(CO)N)O
Structure:
CAS RN: 53126-28-6
CAS Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-azanyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C26H33N3O11
MOLECULAR WEIGHT: 563.55372
SMILES: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O.C(C(CO)(CO)N)O
Structure:
CAS RN: 70109-06-7
CAS Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name: (2Z,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-amino-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-azanyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C26H33N3O11
MOLECULAR WEIGHT: 563.55372
SMILES: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O.C(C(CO)(CO)N)O
Structure:
CAS RN: 39278-10-9
CAS Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-d
OPENEYE Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(me
IUPAC Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dih
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S
MOLECULAR FORMULA: C43H62ClN9O20
MOLECULAR WEIGHT: 1060.45368
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O
Structure:
CAS RN: 8069-81-6
CAS Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-d
OPENEYE Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(me
IUPAC Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dih
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S
MOLECULAR FORMULA: C43H62ClN9O20
MOLECULAR WEIGHT: 1060.45368
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O
Structure:
CAS RN: 38510-47-3
CAS Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S,3R)-2-azanyl-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C22H33N3O5
MOLECULAR WEIGHT: 419.51452
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O)N)OC(C)(C)C
Structure:
CAS RN: 160472-93-5
CAS Name: (2Z,4R,5R)-N-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-oxazolidinecarboxamide
OPENEYE Name: (2Z,4R,5R)-N-hydroxy-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-oxazolidine-4-carboxamide
IUPAC Name: (2Z,4R,5R)-N-hydroxy-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: (2Z,4R,5R)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-N-oxidanyl-2-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide
MOLECULAR FORMULA: C16H18N4O5
MOLECULAR WEIGHT: 346.33792
SMILES: C[C@@H]1[C@@H](N/C(=C/2\C=CC=C(C2=O)O)/O1)C(=O)N(CCC3=CN=CN3)O
Structure:
CAS RN: 158792-25-7
CAS Name: (2Z)-4-methoxy-3-(methylthio)-2-(nitrosomethylidene)-6-(2-pyridinyl)-1H-pyridine
OPENEYE Name: (2Z)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylene)-6-(2-pyridyl)-1H-pyridine
IUPAC Name: (2Z)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine
SYSTEMATIC NAME: (2Z)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine
MOLECULAR FORMULA: C13H13N3O2S
MOLECULAR WEIGHT: 275.32622
SMILES: COC1=C(/C(=C/N=O)/NC(=C1)C2=CC=CC=N2)SC
Structure:
CAS RN: 158792-24-6
CAS Name: (2E)-4-methoxy-3-(methylthio)-2-(nitrosomethylidene)-6-(2-pyridinyl)-1H-pyridine
OPENEYE Name: (2E)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylene)-6-(2-pyridyl)-1H-pyridine
IUPAC Name: (2E)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine
SYSTEMATIC NAME: (2E)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine
MOLECULAR FORMULA: C13H13N3O2S
MOLECULAR WEIGHT: 275.32622
SMILES: COC1=C(/C(=C\N=O)/NC(=C1)C2=CC=CC=N2)SC
Structure:
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