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197771-67-8 | Glycine, L-glutaminyl-L-alanyl-L-cysteinyl-L-arginyl- (9CI)
CAS No: 197771-67-8 Catalog No: AG002B0K MDL No:
Product Description
Catalog Number:
AG002B0K
Chemical Name:
Glycine, L-glutaminyl-L-alanyl-L-cysteinyl-L-arginyl- (9CI)
CAS Number:
197771-67-8
Molecular Formula:
C19H35N9O7S
Molecular Weight:
533.6023
IUPAC Name:
2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]pentanoyl]amino]acetic acid
InChI:
InChI=1S/C19H35N9O7S/c1-9(26-16(33)10(20)4-5-13(21)29)15(32)28-12(8-36)18(35)27-11(3-2-6-24-19(22)23)17(34)25-7-14(30)31/h9-12,36H,2-8,20H2,1H3,(H2,21,29)(H,25,34)(H,26,33)(H,27,35)(H,28,32)(H,30,31)(H4,22,23,24)/t9-,10-,11-,12-/m0/s1
InChI Key:
BQEAUXPHJLETGZ-BJDJZHNGSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)C
Properties
Complexity:
836
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
533.238g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
533.605g/mol
Monoisotopic Mass:
533.238g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
288A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9
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