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82793-58-6 | Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanylthio-
CAS No: 82793-58-6 Catalog No: AG0056JN MDL No:
Product Description
Catalog Number:
AG0056JN
Chemical Name:
Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanylthio-
CAS Number:
82793-58-6
Molecular Formula:
C23H29N5O4S
Molecular Weight:
471.5725
IUPAC Name:
(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-sulfanylideneethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
InChI:
InChI=1S/C23H29N5O4S/c1-14(27-22(31)18(24)11-16-7-9-17(29)10-8-16)21(30)28-19(23(32)26-13-20(25)33)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,33)(H,26,32)(H,27,31)(H,28,30)/t14-,18+,19+/m1/s1
InChI Key:
IVRSLFXHXXETRA-CCKFTAQKSA-N
SMILES:
NC(=S)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
471.194g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
471.576g/mol
Monoisotopic Mass:
471.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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