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Home > Nitro Compounds > 127627-13-8

127627-13-8

127627-13-8 | L-Prolinamide, D-tyrosyl-L-arginylglycyl-4-nitro-L-phenylalanyl-

CAS No: 127627-13-8 Catalog No: AG000X86 MDL No:

Product Description

Catalog Number:
AG000X86
Chemical Name:
L-Prolinamide, D-tyrosyl-L-arginylglycyl-4-nitro-L-phenylalanyl-
CAS Number:
127627-13-8
Molecular Formula:
C31H42N10O8
Molecular Weight:
682.7274
IUPAC Name:
1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C31H42N10O8/c32-22(15-18-7-11-21(42)12-8-18)28(45)39-23(3-1-13-36-31(34)35)29(46)37-17-26(43)38-24(16-19-5-9-20(10-6-19)41(48)49)30(47)40-14-2-4-25(40)27(33)44/h5-12,22-25,42H,1-4,13-17,32H2,(H2,33,44)(H,37,46)(H,38,43)(H,39,45)(H4,34,35,36)
InChI Key:
KCFHMBXKJQJYFK-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H](Cc1ccc(cc1)O)N

Properties

Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.319g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
682.739g/mol
Monoisotopic Mass:
682.319g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
307A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

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