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Home > Nitro Compounds > 89595-90-4
89595-90-4 | L-Phenylalaninamide, 4-nitro-L-phenylalanyl-D-alanylglycyl-
CAS No: 89595-90-4 Catalog No: AG003X6G MDL No:
Product Description
Catalog Number:
AG003X6G
Chemical Name:
L-Phenylalaninamide, 4-nitro-L-phenylalanyl-D-alanylglycyl-
CAS Number:
89595-90-4
Molecular Formula:
C23H28N6O6
Molecular Weight:
484.5050
IUPAC Name:
(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C23H28N6O6/c1-14(27-23(33)18(24)11-16-7-9-17(10-8-16)29(34)35)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
InChI Key:
IGTPAHBLKQXTNA-CCKFTAQKSA-N
SMILES:
O=C(N[C@H](C(=O)N)Cc1ccccc1)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N)C
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
484.207g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
484.513g/mol
Monoisotopic Mass:
484.207g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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