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

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentanoic acid hydrate Openeye Name: (2S)-2-amino-5-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid hydrate CAS Name: (2S)-2-amino-5-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid hydrate IUPAC Name: (2S)-2-amino-5-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid hydrate Traditional Name: (2S)-2-amino-5-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-5-keto-valeric acid hydrate Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5.H2O/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21);1H2/t10-,11-;/m0./s1