6-[2,5-bis(oxidanylidene)pyrrol-1-yl]-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

Systemtic Name: 6-[2,5-bis(oxidanylidene)pyrrol-1-yl]-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 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-(2,5-dioxopyrrol-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-(2,5-dioxo-1-pyrrolyl)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-(2,5-dioxopyrrol-1-yl)hexanamide Traditional 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-maleimido-hexanamide Formula: C50H80N8O9 MolecularWeight: 937.2184

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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)C=CC2=O)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)C=CC2=O)/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/C50H80N8O9/c1-14-33(6)46(56(11)50(65)43(31(2)3)52-49(64)45(32(4)5)55(9)10)38(66-12)30-42(62)57-29-21-24-37(57)47(67-13)34(7)48(63)51-35(8)44(36-22-17-15-18-23-36)54-53-39(59)25-19-16-20-28-58-40(60)26-27-41(58)61/h15,17-18,22-23,26-27,31-35,37-38,43,45-47H,14,16,19-21,24-25,28-30H2,1-13H3,(H,51,63)(H,52,64)(H,53,59)/b54-44-