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

Systemtic Name: 2-[[5-ethoxy-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(2,4-dibenzyl-5-ethoxy-5-oxo-pentanoyl)amino]propanoic acid CAS Name: 2-[[5-ethoxy-1,5-dioxo-2,4-bis(phenylmethyl)pentyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(2,4-dibenzyl-5-ethoxy-5-oxopentanoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(2,4-dibenzyl-5-ethoxy-5-keto-pentanoyl)amino]propionic acid Formula: C31H35NO5S MolecularWeight: 533.6783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)CC(CC2=CC=CC=C2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)CC(CC2=CC=CC=C2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H35NO5S/c1-2-37-31(36)27(19-24-14-8-4-9-15-24)20-26(18-23-12-6-3-7-13-23)29(33)32-28(30(34)35)22-38-21-25-16-10-5-11-17-25/h3-17,26-28H,2,18-22H2,1H3,(H,32,33)(H,34,35)