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798540-13-3 | L-Cysteine, L-valyl-L-arginyl-L-alanyl-
CAS No: 798540-13-3 Catalog No: AG004ZOP MDL No:
Product Description
Catalog Number:
AG004ZOP
Chemical Name:
L-Cysteine, L-valyl-L-arginyl-L-alanyl-
CAS Number:
798540-13-3
Molecular Formula:
C17H33N7O5S
Molecular Weight:
447.5528
IUPAC Name:
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C17H33N7O5S/c1-8(2)12(18)15(27)23-10(5-4-6-21-17(19)20)14(26)22-9(3)13(25)24-11(7-30)16(28)29/h8-12,30H,4-7,18H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-,12-/m0/s1
InChI Key:
BRPGOXQMXRVSFZ-BJDJZHNGSA-N
SMILES:
SC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCNC(=N)N)C
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
447.226g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
447.555g/mol
Monoisotopic Mass:
447.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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