ethyl (2S)-2-[3-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[3-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]propanoylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[3-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]propanoylamino]-3-phenyl-propionic acid ethyl ester Formula: C29H30N6O7 MolecularWeight: 574.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCNC(=O)C(=CNC2=C(C=CC=N2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCNC(=O)/C(=C/NC2=C(C=CC=N2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H30N6O7/c1-2-42-29(39)22(18-20-10-5-3-6-11-20)33-25(36)15-17-31-28(38)23(34-27(37)21-12-7-4-8-13-21)19-32-26-24(35(40)41)14-9-16-30-26/h3-14,16,19,22H,2,15,17-18H2,1H3,(H,30,32)(H,31,38)(H,33,36)(H,34,37)/b23-19-/t22-/m0/s1