methyl 2-[[2-[[2-(2-azanyl-3-phenyl-propanoyl)cyclopentyl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-[[2-(2-azanyl-3-phenyl-propanoyl)cyclopentyl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[[2-(2-amino-3-phenyl-propanoyl)cyclopentanecarbonyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[[[2-(2-amino-1-oxo-3-phenylpropyl)cyclopentyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-(2-amino-3-phenylpropanoyl)cyclopentanecarbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: 3-methyl-2-[[3-methyl-2-[(2-phenylalanylcyclopentanecarbonyl)amino]butanoyl]amino]butyric acid methyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1CCCC1C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1CCCC1C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C26H39N3O5/c1-15(2)21(25(32)29-22(16(3)4)26(33)34-5)28-24(31)19-13-9-12-18(19)23(30)20(27)14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-22H,9,12-14,27H2,1-5H3,(H,28,31)(H,29,32)