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101770-15-4 | D-Valine, N-[N-(phenylacetyl)-L-cysteinyl]- (9CI)
CAS No: 101770-15-4 Catalog No: AG0005GX MDL No:
Product Description
Catalog Number:
AG0005GX
Chemical Name:
D-Valine, N-[N-(phenylacetyl)-L-cysteinyl]- (9CI)
CAS Number:
101770-15-4
Molecular Formula:
C16H22N2O4S
Molecular Weight:
338.4219
IUPAC Name:
(2R)-3-methyl-2-[[(2R)-2-[(2-phenylacetyl)amino]-3-sulfanylpropanoyl]amino]butanoic acid
InChI:
InChI=1S/C16H22N2O4S/c1-10(2)14(16(21)22)18-15(20)12(9-23)17-13(19)8-11-6-4-3-5-7-11/h3-7,10,12,14,23H,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t12-,14+/m0/s1
InChI Key:
GHKVIBLDOGCQDR-GXTWGEPZSA-N
SMILES:
SC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)Cc1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
338.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
338.422g/mol
Monoisotopic Mass:
338.13g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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