(E)-4-[[(2S)-1-[[(2S)-1-[(12-azanyl-12-oxidanylidene-dodecyl)amino]-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[(2S)-1-[[(2S)-1-[(12-azanyl-12-oxidanylidene-dodecyl)amino]-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1S)-2-[[(1S)-2-[(12-amino-12-oxo-dodecyl)amino]-1-[(4-hydroxy-3-nitro-phenyl)methyl]-2-oxo-ethyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2S)-1-[[(2S)-1-[(12-amino-12-oxododecyl)amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-1-[[(2S)-1-[(12-amino-12-oxododecyl)amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(1S)-2-[[(1S)-2-[(12-amino-12-keto-dodecyl)amino]-1-(4-hydroxy-3-nitro-benzyl)-2-keto-ethyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]-4-keto-but-2-enoic acid Formula: C34H51N5O9 MolecularWeight: 673.79684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NCCCCCCCCCCCC(=O)N)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NCCCCCCCCCCCC(=O)N)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C34H51N5O9/c35-30(41)15-11-6-4-2-1-3-5-7-12-20-36-33(45)26(22-25-16-17-29(40)28(23-25)39(47)48)38-34(46)27(21-24-13-9-8-10-14-24)37-31(42)18-19-32(43)44/h16-19,23-24,26-27,40H,1-15,20-22H2,(H2,35,41)(H,36,45)(H,37,42)(H,38,46)(H,43,44)/b19-18+/t26-,27-/m0/s1