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807335-92-8 | L-Histidinamide, glycylglycyl-N-(2-mercaptoethyl)-
CAS No: 807335-92-8 Catalog No: AG0051PS MDL No:
Product Description
Catalog Number:
AG0051PS
Chemical Name:
L-Histidinamide, glycylglycyl-N-(2-mercaptoethyl)-
CAS Number:
807335-92-8
Molecular Formula:
C12H20N6O3S
Molecular Weight:
328.3906
IUPAC Name:
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)-N-(2-sulfanylethyl)propanamide
InChI:
InChI=1S/C12H20N6O3S/c13-4-10(19)16-6-11(20)18-9(12(21)15-1-2-22)3-8-5-14-7-17-8/h5,7,9,22H,1-4,6,13H2,(H,14,17)(H,15,21)(H,16,19)(H,18,20)/t9-/m0/s1
InChI Key:
KBHBTSFEIDRPHL-VIFPVBQESA-N
SMILES:
SCCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CN
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
328.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
328.391g/mol
Monoisotopic Mass:
328.132g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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