(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(phenylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(phenylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2R)-2-amino-3-benzylsulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-1-oxo-3-(phenylmethylthio)propyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2R)-2-amino-3-(benzylthio)propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N

InChI

InChI=1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20(8-15(22)23)16(24)13(19)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18-19H2,(H,22,23)(H,25,26)/t12-,13-/m0/s1