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Home > Nitro Compounds > 80733-88-6
80733-88-6 | dansyl-glycyl-nitrophenylalanyl-proline
CAS No: 80733-88-6 Catalog No: AG00GOC1 MDL No:
Product Description
Catalog Number:
AG00GOC1
Chemical Name:
dansyl-glycyl-nitrophenylalanyl-proline
CAS Number:
80733-88-6
IUPAC Name:
(2S)-1-[(2S)-2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C28H31N5O8S/c1-31(2)23-8-3-7-21-20(23)6-4-10-25(21)42(40,41)29-17-26(34)30-22(16-18-11-13-19(14-12-18)33(38)39)27(35)32-15-5-9-24(32)28(36)37/h3-4,6-8,10-14,22,24,29H,5,9,15-17H2,1-2H3,(H,30,34)(H,36,37)/t22-,24-/m0/s1
InChI Key:
BRRUPBOETNJTAW-UPVQGACJSA-N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
597.189g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
597.643g/mol
Monoisotopic Mass:
597.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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