Catalog Number:
AG00ABNI
Chemical Name:
(3S)-N-[3-Hydroxy-5-[(1,4,5,6-tetrahydro-5-hydroxy-2-pyriMidinyl)aMino] benzoyl]glycyl-3-(3-broMo-5-t-butylphenyl)-beta-alanine
CAS Number:
1564286-55-0
Molecular Formula:
C26H32BrN5O6
Molecular Weight:
590.4662
MDL Number:
MFCD28385850
IUPAC Name:
(3S)-3-(3-bromo-5-tert-butylphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C26H32BrN5O6/c1-26(2,3)16-4-14(5-17(27)8-16)21(10-23(36)37)32-22(35)13-28-24(38)15-6-18(9-19(33)7-15)31-25-29-11-20(34)12-30-25/h4-9,20-21,33-34H,10-13H2,1-3H3,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t21-/m0/s1
InChI Key:
YDHAGPCZRFQPOI-NRFANRHFSA-N
SMILES:
NCC(=O)N(C(=O)c1cc(O)cc(c1)NC1=NCC(CN1)O)CC(c1cc(Br)cc(c1)C(C)(C)C)C(=O)O
