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162852-62-2 | L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-L-valyl-L-alanyl-
CAS No: 162852-62-2 Catalog No: AG001TGZ MDL No:
Product Description
Catalog Number:
AG001TGZ
Chemical Name:
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-L-valyl-L-alanyl-
CAS Number:
162852-62-2
Molecular Formula:
C20H27N3O8
Molecular Weight:
437.4437
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]butanedioic acid
InChI:
InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1
InChI Key:
ZEQLKYSQIAZNOS-NOLJZWGESA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)C
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
437.18g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
437.449g/mol
Monoisotopic Mass:
437.18g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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