methyl 2-[[2-cyanoethyl-[2-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl-[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl-phenyl-amino]ethyl]amino]ethyl]carbamoyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[2-cyanoethyl-[2-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl-[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl-phenyl-amino]ethyl]amino]ethyl]carbamoyl]amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[2-[N-[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamoyl]anilino]ethyl-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]amino]ethyl-(2-cyanoethyl)carbamoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[[2-cyanoethyl-[2-[[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]-[2-(N-[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]anilino)ethyl]amino]ethyl]amino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-cyanoethyl-[2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl-[2-[N-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]anilino]ethyl]amino]ethyl]carbamoyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[2-[N-[(1-benzyl-2-keto-2-methoxy-ethyl)carbamoyl]anilino]ethyl-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]amino]ethyl-(2-cyanoethyl)carbamoyl]amino]-3-methyl-valeric acid methyl ester Formula: C39H55N7O9 MolecularWeight: 765.8955

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCN(CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCN(CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C39H55N7O9/c1-8-28(4)33(36(49)55-7)43-38(51)44(21-15-20-40)22-23-45(37(50)42-32(27(2)3)35(48)54-6)24-25-46(30-18-13-10-14-19-30)39(52)41-31(34(47)53-5)26-29-16-11-9-12-17-29/h9-14,16-19,27-28,31-33H,8,15,21-26H2,1-7H3,(H,41,52)(H,42,50)(H,43,51)