4-[[2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-2-(5-cyano-2-oxidanylidene-1,3-dihydroindol-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-2-(5-cyano-2-oxidanylidene-1,3-dihydroindol-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid Openeye Name: 4-[[2-[acetyl-(2-amino-3-phenyl-propanoyl)amino]-2-(5-cyano-2-oxo-indolin-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoic acid CAS Name: 4-[[2-[acetyl-(2-amino-1-oxo-3-phenylpropyl)amino]-2-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-4-methyl-1-oxopentyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid IUPAC Name: 4-[[2-[acetyl-(2-amino-3-phenylpropanoyl)amino]-2-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-4-methylpentanoyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid Traditional Name: 4-[[2-[acetyl(phenylalanyl)amino]-2-(5-cyano-2-keto-indolin-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-hydroxy-valeric acid Formula: C37H47N5O7 MolecularWeight: 673.79838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1C2=C(C=CC(=C2)C#N)NC1=O)(C(=O)NC(CC3CCCCC3)C(CC(=O)O)O)N(C(=O)C)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)CC(C1C2=C(C=CC(=C2)C#N)NC1=O)(C(=O)NC(CC3CCCCC3)C(CC(=O)O)O)N(C(=O)C)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C37H47N5O7/c1-22(2)20-37(33-27-16-26(21-38)14-15-29(27)40-34(33)47,42(23(3)43)35(48)28(39)17-24-10-6-4-7-11-24)36(49)41-30(31(44)19-32(45)46)18-25-12-8-5-9-13-25/h4,6-7,10-11,14-16,22,25,28,30-31,33,44H,5,8-9,12-13,17-20,39H2,1-3H3,(H,40,47)(H,41,49)(H,45,46)