200,000+ products from a single source!
sales@angenechem.com
128802-75-5 | L-Phenylalaninamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-histidyl-L-prolyl-N-(4-nitrophenyl)- (9CI)
CAS No: 128802-75-5 Catalog No: AG000YEE MDL No:
Product Description
Catalog Number:
AG000YEE
Chemical Name:
L-Phenylalaninamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-histidyl-L-prolyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
128802-75-5
Molecular Formula:
C33H38N8O9
Molecular Weight:
690.7030
IUPAC Name:
4-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[(2S)-2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C33H38N8O9/c1-20(36-28(42)13-14-29(43)44)30(45)39-26(17-23-18-34-19-35-23)33(48)40-15-5-8-27(40)32(47)38-25(16-21-6-3-2-4-7-21)31(46)37-22-9-11-24(12-10-22)41(49)50/h2-4,6-7,9-12,18-20,25-27H,5,8,13-17H2,1H3,(H,34,35)(H,36,42)(H,37,46)(H,38,47)(H,39,45)(H,43,44)/t20-,25-,26-,27-/m0/s1
InChI Key:
RTZIINXZEQBCIF-YQMHAVPBSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)Cc1nc[nH]c1)C)CCC(=O)O
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
690.276g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
690.714g/mol
Monoisotopic Mass:
690.276g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.