2-azanyl-5-[[1-oxidanylidene-1-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]amino]pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-oxidanylidene-1-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]amino]pentanoic acid Openeye Name: 2-amino-5-[[1-(benzylsulfanylmethyl)-2-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]pentanoic acid CAS Name: 2-amino-5-[[1-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]pentanoic acid IUPAC Name: 2-amino-5-[[3-benzylsulfanyl-1-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-1-oxopropan-2-yl]amino]pentanoic acid Traditional Name: 2-amino-5-[[1-[(benzylthio)methyl]-2-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]valeric acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NC(C2=CC=CC=C2)C(=O)O)NCCCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NC(C2=CC=CC=C2)C(=O)O)NCCCC(C(=O)O)N

InChI

InChI=1S/C23H29N3O5S/c24-18(22(28)29)12-7-13-25-19(15-32-14-16-8-3-1-4-9-16)21(27)26-20(23(30)31)17-10-5-2-6-11-17/h1-6,8-11,18-20,25H,7,12-15,24H2,(H,26,27)(H,28,29)(H,30,31)