2-[(2-azanyl-3-phenyl-propanoyl)-phenylmethoxycarbonyl-amino]-2-propan-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-phenylmethoxycarbonyl-amino]-2-propan-2-ylsulfanyl-ethanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-benzyloxycarbonyl-amino]-2-isopropylsulfanyl-acetic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-phenylmethoxycarbonylamino]-2-(propan-2-ylthio)acetic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-2-propan-2-ylsulfanylacetic acid Traditional Name: 2-[carbobenzoxy(phenylalanyl)amino]-2-(isopropylthio)acetic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)SC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-15(2)30-20(21(26)27)24(22(28)29-14-17-11-7-4-8-12-17)19(25)18(23)13-16-9-5-3-6-10-16/h3-12,15,18,20H,13-14,23H2,1-2H3,(H,26,27)