(2S)-2-[[5-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2,4-dinitro-phenyl]amino]-3-(2-methoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[5-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2,4-dinitro-phenyl]amino]-3-(2-methoxyphenyl)propanoic acid Openeye Name: (2S)-2-[5-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-2,4-dinitro-anilino]-3-(2-methoxyphenyl)propanoic acid CAS Name: (2S)-2-[5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2,4-dinitroanilino]-3-(2-methoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2,4-dinitroanilino]-3-(2-methoxyphenyl)propanoic acid Traditional Name: (2S)-2-[5-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-2,4-dinitro-anilino]-3-(2-methoxyphenyl)propionic acid Formula: C19H21N5O8 MolecularWeight: 447.39874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CC2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C19H21N5O8/c1-10(18(20)25)21-12-8-13(16(24(30)31)9-15(12)23(28)29)22-14(19(26)27)7-11-5-3-4-6-17(11)32-2/h3-6,8-10,14,21-22H,7H2,1-2H3,(H2,20,25)(H,26,27)/t10-,14-/m0/s1