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113770-15-3 | D-Cysteine, S-(1-methyl-1H-tetrazol-5-yl)-N-[(phenylmethoxy)carbonyl]-
CAS No: 113770-15-3 Catalog No: AG0009MW MDL No:
Product Description
Catalog Number:
AG0009MW
Chemical Name:
D-Cysteine, S-(1-methyl-1H-tetrazol-5-yl)-N-[(phenylmethoxy)carbonyl]-
CAS Number:
113770-15-3
Molecular Formula:
C13H15N5O4S
Molecular Weight:
337.3543
IUPAC Name:
3-(1-methyltetrazol-5-yl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C13H15N5O4S/c1-18-12(15-16-17-18)23-8-10(11(19)20)14-13(21)22-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,21)(H,19,20)
InChI Key:
NFOWPJDUVOHVAF-UHFFFAOYSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CSc1nnnn1C)OCc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.354g/mol
Monoisotopic Mass:
337.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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