(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

CAS: 9028-85-7

Formula: C19H23N5O6

SMILES: [H]N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O

IUPAC: (3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

InChI: InChI=1/C19H23N5O6/c20-13(6-11-4-2-1-3-5-11)17(27)23-14(8-16(25)26)18(28)24-15(19(29)30)7-12-9-21-10-22-12/h1-5,9-10,13-15H,6-8,20H2,(H,21,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,14-,15-/s2

Composition: C (54.67%), H (5.55%), N (16.78%), O (23.00%)

Molar Mass: 417.422

Atom Count: 53

Heavy Atom Count: 30