methyl (E)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-pyren-1-yl-but-2-enoate

Systemtic Name: methyl (E)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-pyren-1-yl-but-2-enoate Openeye Name: methyl (E)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-pyren-1-yl-but-2-enoate CAS Name: (E)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1-pyrenyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-pyren-1-ylbut-2-enoate Traditional Name: (E)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-pyren-1-yl-but-2-enoic acid methyl ester Formula: C35H34N2O5 MolecularWeight: 562.65486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C/C(=C(/C(=O)OC)\NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C35H34N2O5/c1-21(26-18-16-25-15-14-23-12-9-13-24-17-19-27(26)30(25)29(23)24)31(33(39)41-5)37-32(38)28(20-22-10-7-6-8-11-22)36-34(40)42-35(2,3)4/h6-19,28H,20H2,1-5H3,(H,36,40)(H,37,38)/b31-21+/t28-/m0/s1