2-[[5-oxidanylidene-5-phenylazanyl-2,4-bis(phenylmethyl)pentanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[5-oxidanylidene-5-phenylazanyl-2,4-bis(phenylmethyl)pentanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[(5-anilino-2,4-dibenzyl-5-oxo-pentanoyl)amino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[[5-anilino-1,5-dioxo-2,4-bis(phenylmethyl)pentyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-[(5-anilino-2,4-dibenzyl-5-oxopentanoyl)amino]-3-benzylsulfanylpropanoic acid Traditional Name: 2-[(5-anilino-2,4-dibenzyl-5-keto-pentanoyl)amino]-3-(benzylthio)propionic acid Formula: C35H36N2O4S MolecularWeight: 580.73634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(CC2=CC=CC=C2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(CC2=CC=CC=C2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C35H36N2O4S/c38-33(36-31-19-11-4-12-20-31)29(21-26-13-5-1-6-14-26)23-30(22-27-15-7-2-8-16-27)34(39)37-32(35(40)41)25-42-24-28-17-9-3-10-18-28/h1-20,29-30,32H,21-25H2,(H,36,38)(H,37,39)(H,40,41)