2-[[(2S)-2-(2-acetamidoethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-(2-acetamidoethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[(2-acetamido-1-oxoethyl)amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]acetic acid Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CC1C=NC=N1)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)NCC(=O)N[C@@H](CC1C=NC=N1)C(=O)NCC(=O)O

InChI

InChI=1S/C12H17N5O5/c1-7(18)14-4-10(19)17-9(2-8-3-13-6-16-8)12(22)15-5-11(20)21/h3,6,8-9H,2,4-5H2,1H3,(H,14,18)(H,15,22)(H,17,19)(H,20,21)/t8?,9-/m0/s1