N-[1-[(5-azanyl-5-oxidanylidene-4-phenyl-pentyl)amino]-1,2-bis(oxidanylidene)hexan-3-yl]-1-[2-cyclohexyl-2-[[4-methyl-2-(methylsulfonylamino)pentanoyl]amino]ethanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[(5-azanyl-5-oxidanylidene-4-phenyl-pentyl)amino]-1,2-bis(oxidanylidene)hexan-3-yl]-1-[2-cyclohexyl-2-[[4-methyl-2-(methylsulfonylamino)pentanoyl]amino]ethanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxamide Openeye Name: N-[1-[2-[(5-amino-5-oxo-4-phenyl-pentyl)amino]-2-oxo-acetyl]butyl]-4-benzyloxy-1-[2-cyclohexyl-2-[[2-(methanesulfonamido)-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[(5-amino-5-oxo-4-phenylpentyl)amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[[2-(methanesulfonamido)-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-4-phenylmethoxy-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(5-amino-5-oxo-4-phenylpentyl)amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetyl]-4-phenylmethoxypyrrolidine-2-carboxamide Traditional Name: N-[1-[2-[(5-amino-5-keto-4-phenyl-pentyl)amino]-2-keto-acetyl]butyl]-4-benzoxy-1-[2-cyclohexyl-2-[[2-(methanesulfonamido)-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide Formula: C44H64N6O9S MolecularWeight: 853.07876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCCCC(C1=CC=CC=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)C(CC(C)C)NS(=O)(=O)C)OCC4=CC=CC=C4

Isomeric SMILES

CCCC(C(=O)C(=O)NCCCC(C1=CC=CC=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)C(CC(C)C)NS(=O)(=O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C44H64N6O9S/c1-5-16-35(39(51)43(55)46-24-15-23-34(40(45)52)31-19-11-7-12-20-31)47-42(54)37-26-33(59-28-30-17-9-6-10-18-30)27-50(37)44(56)38(32-21-13-8-14-22-32)48-41(53)36(25-29(2)3)49-60(4,57)58/h6-7,9-12,17-20,29,32-38,49H,5,8,13-16,21-28H2,1-4H3,(H2,45,52)(H,46,55)(H,47,54)(H,48,53)