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102770-07-0 | D-Valine, N-[N-(phenoxyacetyl)-L-cysteinyl]- (9CI)
CAS No: 102770-07-0 Catalog No: AG0008BL MDL No:
Product Description
Catalog Number:
AG0008BL
Chemical Name:
D-Valine, N-[N-(phenoxyacetyl)-L-cysteinyl]- (9CI)
CAS Number:
102770-07-0
Molecular Formula:
C16H22N2O5S
Molecular Weight:
354.4213
IUPAC Name:
3-methyl-2-[[2-[(2-phenoxyacetyl)amino]-3-sulfanylpropanoyl]amino]butanoic acid
InChI:
InChI=1S/C16H22N2O5S/c1-10(2)14(16(21)22)18-15(20)12(9-24)17-13(19)8-23-11-6-4-3-5-7-11/h3-7,10,12,14,24H,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChI Key:
UWXLNZKNFVPXTM-UHFFFAOYSA-N
SMILES:
SC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)COc1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
354.421g/mol
Monoisotopic Mass:
354.125g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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