Home Carbonyls 13-Oxa-6,7-dithia-2,11-diazapentadecanoic acid, 3,10-bis(methoxycarbonyl)-14,14-dimethyl-12-oxo-, 1,1-dimethylethyl ester, (3S,10S)-

13-Oxa-6,7-dithia-2,11-diazapentadecanoic acid, 3,10-bis(methoxycarbonyl)-14,14-dimethyl-12-oxo-, 1,1-dimethylethyl ester, (3S,10S)-

CAS No.:
144373-70-6
Catalog Number:
AG001JF0
Molecular Formula:
C20H36N2O8S2
Molecular Weight:
496.6384
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Product Description
Catalog Number:
AG001JF0
Chemical Name:
13-Oxa-6,7-dithia-2,11-diazapentadecanoic acid, 3,10-bis(methoxycarbonyl)-14,14-dimethyl-12-oxo-, 1,1-dimethylethyl ester, (3S,10S)-
CAS Number:
144373-70-6
Molecular Formula:
C20H36N2O8S2
Molecular Weight:
496.6384
IUPAC Name:
methyl 2-amino-4-[[(3S)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methoxy-4-oxobutyl]disulfanyl]butanoate
InChI:
InChI=1S/C20H36N2O8S2/c1-19(2,3)29-17(25)22(18(26)30-20(4,5)6)14(16(24)28-8)10-12-32-31-11-9-13(21)15(23)27-7/h13-14H,9-12,21H2,1-8H3/t13?,14-/m0/s1
InChI Key:
LGRXGIZUSMJVIX-KZUDCZAMSA-N
SMILES:
COC(=O)[C@@H](NC(=O)OC(C)(C)C)CCSSCC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
619  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
496.191g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
496.634g/mol
Monoisotopic Mass:
496.191g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties