ethyl (E,4S)-4-[[(2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-oxo-3-phenylpropyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C31H31N3O6 MolecularWeight: 541.59434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H31N3O6/c1-2-40-30(36)20-16-26(21-24-9-5-3-6-10-24)32-31(37)28(22-25-11-7-4-8-12-25)33-29(35)19-15-23-13-17-27(18-14-23)34(38)39/h3-20,26,28H,2,21-22H2,1H3,(H,32,37)(H,33,35)/b19-15+,20-16+/t26-,28+/m1/s1