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140626-94-4 | L-Cysteine, N-acetyl-S-[(4S,5S)-4-[[[(3S)-hexahydro-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-1-oxoheptyl]-3-pyridazinyl]carbonyl]amino]-5-methyl-3-oxoheptyl]-
CAS No: 140626-94-4 Catalog No: AG001CKS MDL No:
Product Description
Catalog Number:
AG001CKS
Chemical Name:
L-Cysteine, N-acetyl-S-[(4S,5S)-4-[[[(3S)-hexahydro-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-1-oxoheptyl]-3-pyridazinyl]carbonyl]amino]-5-methyl-3-oxoheptyl]-
CAS Number:
140626-94-4
Molecular Formula:
C27H47N5O8S
Molecular Weight:
601.7558
IUPAC Name:
(2R)-2-acetamido-3-[4-[[2-[2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-5-methyl-3-oxoheptyl]sulfanylpropanoic acid
InChI:
InChI=1S/C27H47N5O8S/c1-5-7-8-10-19(15-23(35)31-40)26(37)32-21(11-9-13-28-32)25(36)30-24(17(3)6-2)22(34)12-14-41-16-20(27(38)39)29-18(4)33/h17,19-21,24,28,40H,5-16H2,1-4H3,(H,29,33)(H,30,36)(H,31,35)(H,38,39)/t17?,19?,20-,21?,24?/m0/s1
InChI Key:
FKOLSKSZEQBBHL-IKXKWNMQSA-N
SMILES:
CCCCC[C@@H](C(=O)N1NCCC[C@H]1C(=O)N[C@H](C(=O)CCSC[C@@H](C(=O)O)NC(=O)C)[C@H](CC)C)CC(=O)NO
Properties
Complexity:
905
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
601.315g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
601.76g/mol
Monoisotopic Mass:
601.315g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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