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251967-62-1 | L-Cysteine, L-valyl-L-histidyl-L-leucyl-L-threonyl-
CAS No: 251967-62-1 Catalog No: AG002QU2 MDL No:
Product Description
Catalog Number:
AG002QU2
Chemical Name:
L-Cysteine, L-valyl-L-histidyl-L-leucyl-L-threonyl-
CAS Number:
251967-62-1
Molecular Formula:
C24H41N7O7S
Molecular Weight:
571.6900
IUPAC Name:
(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C24H41N7O7S/c1-11(2)6-15(21(34)31-19(13(5)32)23(36)30-17(9-39)24(37)38)28-20(33)16(7-14-8-26-10-27-14)29-22(35)18(25)12(3)4/h8,10-13,15-19,32,39H,6-7,9,25H2,1-5H3,(H,26,27)(H,28,33)(H,29,35)(H,30,36)(H,31,34)(H,37,38)/t13-,15+,16+,17+,18+,19+/m1/s1
InChI Key:
AGOQRESNKXHZSU-PFFQMSPKSA-N
SMILES:
SC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C(C)C)N)CC(C)C
Properties
Complexity:
861
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
571.279g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
571.694g/mol
Monoisotopic Mass:
571.279g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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