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286380-06-1 | L-Cysteine, L-cysteinyl-L-alanyl-L-arginyl-L-alanyl-
CAS No: 286380-06-1 Catalog No: AG002VXS MDL No:
Product Description
Catalog Number:
AG002VXS
Chemical Name:
L-Cysteine, L-cysteinyl-L-alanyl-L-arginyl-L-alanyl-
CAS Number:
286380-06-1
Molecular Formula:
C18H34N8O6S2
Molecular Weight:
522.6426
IUPAC Name:
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C18H34N8O6S2/c1-8(23-15(29)10(19)6-33)13(27)25-11(4-3-5-22-18(20)21)16(30)24-9(2)14(28)26-12(7-34)17(31)32/h8-12,33-34H,3-7,19H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)(H,31,32)(H4,20,21,22)/t8-,9-,10-,11-,12-/m0/s1
InChI Key:
XLMYPJJOVVFKOR-HTFCKZLJSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)C)CCCNC(=N)N)C)N
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
522.204g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
522.64g/mol
Monoisotopic Mass:
522.204g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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