methyl (2S)-2-[[(2S)-3-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-methyl-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H25N3O8 MolecularWeight: 495.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C25H25N3O8/c1-14(2)21(23(30)26-19(25(32)35-3)11-15-7-5-4-6-8-15)27-22(29)18-13-16-12-17(28(33)34)9-10-20(16)36-24(18)31/h4-10,12-14,19,21H,11H2,1-3H3,(H,26,30)(H,27,29)/t19-,21-/m0/s1