[(1R,2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxidanylidene-2-propan-2-yl-heptanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] (6Z)-6-[6-[2,5-bis(oxidanylidene)-3-sulfanyl-pyrrolidin-1-yl]hexanoylhydrazinylidene]-6-phenyl-hexanoate

Systemtic Name: [(1R,2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxidanylidene-2-propan-2-yl-heptanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] (6Z)-6-[6-[2,5-bis(oxidanylidene)-3-sulfanyl-pyrrolidin-1-yl]hexanoylhydrazinylidene]-6-phenyl-hexanoate Openeye Name: [(1R,2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-2-isopropyl-6-methyl-4-oxo-heptanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] (6Z)-6-[6-(2,5-dioxo-3-sulfanyl-pyrrolidin-1-yl)hexanoylhydrazono]-6-phenyl-hexanoate CAS Name: (6Z)-6-[[6-(3-mercapto-2,5-dioxo-1-pyrrolidinyl)-1-oxohexyl]hydrazinylidene]-6-phenylhexanoic acid [(1R,2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-1,4-dioxo-2-propan-2-ylheptyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-1-phenylpropyl] (6Z)-6-[6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanoylhydrazinylidene]-6-phenylhexanoate Traditional Name: (6Z)-6-[6-(2,5-diketo-3-mercapto-pyrrolidino)hexanoylhydrazono]-6-phenyl-hexanoic acid [(1R,2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-2-isopropyl-4-keto-6-methyl-heptanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] ester Formula: C63H97N7O11S MolecularWeight: 1160.54958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)OC(=O)CCCCC(=NNC(=O)CCCCCN3C(=O)CC(C3=O)S)C4=CC=CC=C4)OC)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C

Isomeric SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)OC(=O)CCCC/C(=N/NC(=O)CCCCCN3C(=O)CC(C3=O)S)/C4=CC=CC=C4)OC)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI

InChI=1S/C63H97N7O11S/c1-14-42(6)58(68(11)62(77)47(40(2)3)37-50(71)57(41(4)5)67(9)10)51(79-12)38-54(73)69-36-26-32-49(69)59(80-13)43(7)61(76)64-44(8)60(46-29-20-16-21-30-46)81-56(75)34-24-23-31-48(45-27-18-15-19-28-45)65-66-53(72)33-22-17-25-35-70-55(74)39-52(82)63(70)78/h15-16,18-21,27-30,40-44,47,49,51-52,57-60,82H,14,17,22-26,31-39H2,1-13H3,(H,64,76)(H,66,72)/b65-48-/t42-,43+,44-,47-,49-,51+,52?,57-,58-,59+,60-/m0/s1