(2S)-2-[3-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]propanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[3-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]propanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[3-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]propanoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[3-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[3-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]propanoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[3-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]propanoylamino]-3-methyl-butyric acid Formula: C13H23N3O6 MolecularWeight: 317.33822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCNC(=O)C(CO)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CCNC(=O)[C@H](CO)NC(=O)C

InChI

InChI=1S/C13H23N3O6/c1-7(2)11(13(21)22)16-10(19)4-5-14-12(20)9(6-17)15-8(3)18/h7,9,11,17H,4-6H2,1-3H3,(H,14,20)(H,15,18)(H,16,19)(H,21,22)/t9-,11-/m0/s1