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Home > Nitro Compounds > 83329-40-2
83329-40-2 | L-Tryptophanamide, D-arginyl-L-valyl-N-(4-nitrophenyl)-
CAS No: 83329-40-2 Catalog No: AG004X9C MDL No:
Product Description
Catalog Number:
AG004X9C
Chemical Name:
L-Tryptophanamide, D-arginyl-L-valyl-N-(4-nitrophenyl)-
CAS Number:
83329-40-2
Molecular Formula:
C28H37N9O5
Molecular Weight:
579.6507
IUPAC Name:
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
InChI:
InChI=1S/C28H37N9O5/c1-16(2)24(36-25(38)21(29)7-5-13-32-28(30)31)27(40)35-23(14-17-15-33-22-8-4-3-6-20(17)22)26(39)34-18-9-11-19(12-10-18)37(41)42/h3-4,6,8-12,15-16,21,23-24,33H,5,7,13-14,29H2,1-2H3,(H,34,39)(H,35,40)(H,36,38)(H4,30,31,32)/t21-,23+,24+/m1/s1
InChI Key:
ODIXCJZXNOQQFV-NHTMILBNSA-N
SMILES:
NC(=N)NCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1c[nH]c2c1cccc2)C(C)C)N
Properties
Complexity:
960
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
579.292g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
579.662g/mol
Monoisotopic Mass:
579.292g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
239A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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