Catalog Number:
AG002J08
Chemical Name:
N-Benzoyl-Gly-His-Leu xhydrate
CAS Number:
207386-83-2
Molecular Formula:
C21H29N5O6
Molecular Weight:
447.4849
MDL Number:
MFCD00149319
IUPAC Name:
(2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid;hydrate
InChI:
InChI=1S/C21H27N5O5.H2O/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14;/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31);1H2/t16-,17-;/m0./s1
InChI Key:
NWOJMNXIJBZMPK-QJHJCNPRSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1)C.O
