phenyl (2S)-3-indol-1-yl-2-[[(2S)-2-[(2-nitrophenyl)methyl-prop-2-enoxycarbonyl-amino]propanoyl]amino]propanoate

Systemtic Name: phenyl (2S)-3-indol-1-yl-2-[[(2S)-2-[(2-nitrophenyl)methyl-prop-2-enoxycarbonyl-amino]propanoyl]amino]propanoate Openeye Name: phenyl (2S)-2-[[(2S)-2-[allyloxycarbonyl-[(2-nitrophenyl)methyl]amino]propanoyl]amino]-3-indol-1-yl-propanoate CAS Name: (2S)-3-(1-indolyl)-2-[[(2S)-2-[(2-nitrophenyl)methyl-[oxo(prop-2-enoxy)methyl]amino]-1-oxopropyl]amino]propanoic acid phenyl ester IUPAC Name: phenyl (2S)-3-indol-1-yl-2-[[(2S)-2-[(2-nitrophenyl)methyl-prop-2-enoxycarbonylamino]propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[allyloxycarbonyl-(2-nitrobenzyl)amino]propanoyl]amino]-3-indol-1-yl-propionic acid phenyl ester Formula: C31H30N4O7 MolecularWeight: 570.5925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CN1C=CC2=CC=CC=C21)C(=O)OC3=CC=CC=C3)N(CC4=CC=CC=C4[N+](=O)[O-])C(=O)OCC=C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CN1C=CC2=CC=CC=C21)C(=O)OC3=CC=CC=C3)N(CC4=CC=CC=C4[N+](=O)[O-])C(=O)OCC=C

InChI

InChI=1S/C31H30N4O7/c1-3-19-41-31(38)34(20-24-12-8-10-16-28(24)35(39)40)22(2)29(36)32-26(30(37)42-25-13-5-4-6-14-25)21-33-18-17-23-11-7-9-15-27(23)33/h3-18,22,26H,1,19-21H2,2H3,(H,32,36)/t22-,26-/m0/s1