N-[(E)-[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propylidene]amino]-6-[3-methylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanamide

Systemtic Name: N-[(E)-[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propylidene]amino]-6-[3-methylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanamide Openeye Name: N-[(E)-[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propylidene]amino]-6-(3-methylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)hexanamide CAS Name: N-[(E)-[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]-1-phenylpropylidene]amino]-6-[3-(methylthio)-2,5-dioxo-1-pyrrolidinyl]hexanamide IUPAC Name: N-[(E)-[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-1-phenylpropylidene]amino]-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide Traditional Name: 6-[2,5-diketo-3-(methylthio)pyrrolidino]-N-[(E)-[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propylidene]amino]hexanamide Formula: C51H84N8O9S MolecularWeight: 985.32586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(=NNC(=O)CCCCCN2C(=O)CC(C2=O)SC)C3=CC=CC=C3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)/C(=N/NC(=O)CCCCCN2C(=O)CC(C2=O)SC)/C3=CC=CC=C3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C51H84N8O9S/c1-15-33(6)46(57(11)51(66)43(31(2)3)53-49(64)45(32(4)5)56(9)10)38(67-12)29-41(61)58-28-22-25-37(58)47(68-13)34(7)48(63)52-35(8)44(36-23-18-16-19-24-36)55-54-40(60)26-20-17-21-27-59-42(62)30-39(69-14)50(59)65/h16,18-19,23-24,31-35,37-39,43,45-47H,15,17,20-22,25-30H2,1-14H3,(H,52,63)(H,53,64)(H,54,60)/b55-44-