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

Systemtic Name: 2-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-[[(1R)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid Openeye Name: 2-amino-5-[[(1S)-2-[[(1R)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[(2S)-1-[[(1R)-2-hydroxy-2-oxo-1-phenylethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[(2S)-1-[[(1R)-2-hydroxy-2-oxo-1-phenylethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[(1S)-2-[[(1R)-2-hydroxy-2-keto-1-phenyl-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CS)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)[C@@H](CS)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C16H21N3O6S/c17-10(15(22)23)6-7-12(20)18-11(8-26)14(21)19-13(16(24)25)9-4-2-1-3-5-9/h1-5,10-11,13,26H,6-8,17H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t10?,11-,13-/m1/s1