2-[[(2S)-2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[[(2S)-2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-oxidanyl-ethanoic acid Openeye Name: 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxy-acetic acid CAS Name: 2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-hydroxyacetic acid IUPAC Name: 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxyacetic acid Traditional Name: 2-[[(2S)-2-(glycylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxy-acetic acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(C(=O)O)O)NC(=O)CN)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NC(C(=O)O)O)NC(=O)CN)O

InChI

InChI=1S/C13H17N3O6/c14-6-10(18)15-9(11(19)16-12(20)13(21)22)5-7-1-3-8(17)4-2-7/h1-4,9,12,17,20H,5-6,14H2,(H,15,18)(H,16,19)(H,21,22)/t9-,12?/m0/s1