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(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-[[(10R,13R)-3-[3-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanylidene-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthr

Systemtic Name:	(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-[[(10R,13R)-3-[3-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanylidene-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthr
Openeye Name:	(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(10R,13R)-3-[3-[(2S)-2-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidin-1-yl]-3-oxo-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-penta
CAS Name:	(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(10R,13R)-3-[3-[(2S)-2-[[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-oxopropyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-
IUPAC Name:	(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(10R,13R)-3-[3-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxopropyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]
Traditional Name:	(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(10R,13R)-3-[3-[(2S)-2-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]pyrrolidino]-3-keto-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentan
Formula:	C₈₇H₁₃₀N₁₄O₂₁
MolecularWeight:	1708.0443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)CCC4CCC5(C(C4)CCC6C5CCC7(C6CCC7OCC(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC8=CC=CC=C8)C(=O)O)C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCC4CC[C@@]5(C(C4)CCC6C5CC[C@@]7(C6CCC7OCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)O)C)C

InChI

InChI=1S/C87H130N14O21/c1-11-47(6)72(81(115)100-74(49(8)104)83(117)95-61(37-46(4)5)77(111)97-64(85(120)121)40-52-42-90-58-21-16-15-20-54(52)58)98-75(109)59(27-29-68(88)105)92-80(114)66-22-17-35-101(66)71(108)30-23-51-31-33-86(9)53(38-51)24-25-55-56-26-28-67(87(56,10)34-32-57(55)86)122-44-70(107)91-65(43-102)79(113)99-73(48(7)103)82(116)94-60(36-45(2)3)76(110)93-62(41-69(89)106)78(112)96-63(84(118)119)39-50-18-13-12-14-19-50/h12-16,18-21,42,45-49,51,53,55-57,59-67,72-74,90,102-104H,11,17,22-41,43-44H2,1-10H3

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