tert-butyl N-[5-azanyl-1-[[1-[2-methanoyl-2-(4-methylpiperidin-2-yl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-1-oxidanylidene-pentan-2-yl]-N-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]carbamate

Systemtic Name: tert-butyl N-[5-azanyl-1-[[1-[2-methanoyl-2-(4-methylpiperidin-2-yl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-1-oxidanylidene-pentan-2-yl]-N-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]carbamate Openeye Name: tert-butyl N-[4-amino-1-[[1-benzyl-2-[2-formyl-2-(4-methyl-2-piperidyl)pyrrolidin-1-yl]-2-oxo-ethyl]-methyl-carbamoyl]butyl]-N-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]carbamate CAS Name: N-[5-amino-1-[[1-[2-formyl-2-(4-methyl-2-piperidinyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxopentan-2-yl]-N-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-amino-1-[[1-[2-formyl-2-(4-methylpiperidin-2-yl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxopentan-2-yl]-N-[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]carbamate Traditional Name: N-[4-amino-1-[[1-benzyl-2-[2-formyl-2-(4-methyl-2-piperidyl)pyrrolidino]-2-keto-ethyl]-methyl-carbamoyl]butyl]-N-[3-methyl-2-(phenylalanylamino)pentanoyl]carbamic acid tert-butyl ester Formula: C46H69N7O7 MolecularWeight: 832.08276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(CCCN)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2(C=O)C3CC(CCN3)C)C(=O)OC(C)(C)C)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(CCCN)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2(C=O)C3CC(CCN3)C)C(=O)OC(C)(C)C)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C46H69N7O7/c1-8-32(3)39(50-40(55)35(48)28-33-17-11-9-12-18-33)43(58)53(44(59)60-45(4,5)6)36(21-15-24-47)41(56)51(7)37(29-34-19-13-10-14-20-34)42(57)52-26-16-23-46(52,30-54)38-27-31(2)22-25-49-38/h9-14,17-20,30-32,35-39,49H,8,15-16,21-29,47-48H2,1-7H3,(H,50,55)