3-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]carbamoyl]-3-[2-(4-propylphenyl)ethyl]cyclopentane-1-carboxylic acid

Systemtic Name: 3-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]carbamoyl]-3-[2-(4-propylphenyl)ethyl]cyclopentane-1-carboxylic acid Openeye Name: 3-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-3-[2-(4-propylphenyl)ethyl]cyclopentanecarboxylic acid CAS Name: 3-[[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-3-[2-(4-propylphenyl)ethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 3-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-3-[2-(4-propylphenyl)ethyl]cyclopentane-1-carboxylic acid Traditional Name: 3-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-3-[2-(4-propylphenyl)ethyl]cyclopentanecarboxylic acid Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCC2(CCC(C2)C(=O)O)C(=O)NC(CC(C)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)CCC2(CCC(C2)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C30H40N2O4/c1-4-8-22-11-13-23(14-12-22)15-17-30(18-16-24(20-30)28(34)35)29(36)32-26(19-21(2)3)27(33)31-25-9-6-5-7-10-25/h5-7,9-14,21,24,26H,4,8,15-20H2,1-3H3,(H,31,33)(H,32,36)(H,34,35)/t24?,26-,30?/m0/s1