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methyl (2S)-2-[[3-chloranyl-5-[1-[3-chloranyl-5-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4-oxidanyl-phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate
methyl (2S)-2-[[3-chloranyl-5-[1-[3-chloranyl-5-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4-oxidanyl-phenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)NC(CC6=CC=CC=C6)C(=O)OC)C7=CC(=C(C(=C7)Cl)O)C(=O)NC(CC8=CC=CC=C8)C(=O)OC)C)C
Isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)OC)C7=CC(=C(C(=C7)Cl)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)OC)C)C
InChI
InChI=1S/C65H82Cl2N2O8/c1-39(2)16-14-17-40(3)51-26-27-52-48-25-24-46-32-43(28-30-64(46,4)53(48)29-31-65(51,52)5)22-15-23-47(44-35-49(58(70)54(66)37-44)60(72)68-56(62(74)76-6)33-41-18-10-8-11-19-41)45-36-50(59(71)55(67)38-45)61(73)69-57(63(75)77-7)34-42-20-12-9-13-21-42/h8-13,18-21,23,35-40,43,46,48,51-53,56-57,70-71H,14-17,22,24-34H2,1-7H3,(H,68,72)(H,69,73)/t40-,43+,46?,48+,51-,52+,53+,56+,57+,64+,65-/m1/s1
Other Product
- 2,5-bis(chloranyl)cyclohexa-2,5-diene-1,4-diol
- 2,5-bis(chloranyl)benzene-1,4-diol
- 2,5-bis(chloranyl)phenol
- 2-oxidanylidenehexanedioic acid
- 2-oxidanylidene-3-sulfanyl-propanoic acid
- 3-oxidanylbenzaldehyde
- 3-azanylpropanal
- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
- 3-oxidanylidenehexanedioic acid
- [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,4-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-oxan-2-yl]oxy-6a-(hydroxymethyl)-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
- [(1S)-1-[(3S,5S,8R,9S,10S,12R,13S,14S,17S)-12-acetyloxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2-methylbutanoate
- (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-azanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
- (2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid
- (2S,3R)-3-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,4R)-4-[(3R,4R,5S)-4-azanyl-5-methyl-3-oxidanyl-heptanoyl]oxy-2,5-dimethyl-3-oxidanylidene-hexanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonyl-methyl-amino]-3-(4-methoxyphenyl)propanoyl]oxy-2-[[(2R)-4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]butanoic acid
- 3-[(3-azanyl-3-oxidanylidene-propyl)-[3-[[4-[[4-[4-[[4-[[3-[bis(3-azanyl-3-oxidanylidene-propyl)sulfamoyl]phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)phenyl]-3-(hydroxymethyl)phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]phenyl]sulfonyl-amino]propanamide
- [(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-azanyl-2-(hydroxymethyl)-6-(6-methoxy-6-oxidanylidene-hexoxy)-3-oxidanyl-oxan-4-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl] benzoate
- (4S)-4-(2-acetamidoethanoylamino)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4,4-bis(fluoranyl)-3-methyl-1-oxidanylidene-4-phosphono-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid
- [(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-1-[(1-methyl-4H-pyridin-3-yl)carbonyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoate
- [(2R,6R,17R)-6,17-bis(2-trimethylsilylethoxymethoxy)-17-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]heptadec-3-yn-2-yl]oxy-tert-butyl-dimethyl-silane
