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85338-70-1 | Glycinamide, N-acetyl-L-phenylalanyl-L-alanyl-
CAS No: 85338-70-1 Catalog No: AG004P7V MDL No:
Product Description
Catalog Number:
AG004P7V
Chemical Name:
Glycinamide, N-acetyl-L-phenylalanyl-L-alanyl-
CAS Number:
85338-70-1
Molecular Formula:
C16H22N4O4
Molecular Weight:
334.3703
IUPAC Name:
(2S)-2-acetamido-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
InChI:
InChI=1S/C16H22N4O4/c1-10(15(23)18-9-14(17)22)19-16(24)13(20-11(2)21)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H2,17,22)(H,18,23)(H,19,24)(H,20,21)/t10-,13-/m0/s1
InChI Key:
IXKNSVYLNJIWIT-GWCFXTLKSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)C)Cc1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
334.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
334.376g/mol
Monoisotopic Mass:
334.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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