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151142-89-1

151142-89-1 | Hexanoic acid, 6-amino-2-[[[1-[(aminoacetyl)amino]-2-(1H-imidazol-4-yl)ethyl]amino]carbonyl]-, [S-(R*,R*)]-, monoacetate (9CI)

CAS No: 151142-89-1 Catalog No: AG001N4G MDL No:

Product Description

Catalog Number:
AG001N4G
Chemical Name:
Hexanoic acid, 6-amino-2-[[[1-[(aminoacetyl)amino]-2-(1H-imidazol-4-yl)ethyl]amino]carbonyl]-, [S-(R*,R*)]-, monoacetate (9CI)
CAS Number:
151142-89-1
Molecular Formula:
C16H28N6O6
Molecular Weight:
400.4301
IUPAC Name:
acetic acid;(2S)-6-amino-2-[[(1S)-1-[(2-aminoacetyl)amino]-2-(1H-imidazol-5-yl)ethyl]carbamoyl]hexanoic acid
InChI:
InChI=1S/C14H24N6O4.C2H4O2/c15-4-2-1-3-10(14(23)24)13(22)20-11(19-12(21)6-16)5-9-7-17-8-18-9;1-2(3)4/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);1H3,(H,3,4)/t10-,11+;/m0./s1
InChI Key:
PDSFNTVWBBHQQG-VZXYPILPSA-N
SMILES:
CC(=O)O.NCCCC[C@@H](C(=O)N[C@H](Cc1[nH]cnc1)NC(=O)CN)C(=O)O

Properties

Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
400.207g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
400.436g/mol
Monoisotopic Mass:
400.207g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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