2-azanyl-3-[(3E)-4-oxidanylidene-3-[[2-[4-[5-oxidanylidene-5-[[(E)-2-pyridin-3-ylethenyl]amino]pentyl]piperidin-1-yl]carbonylphenyl]hydrazinylidene]cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3E)-4-oxidanylidene-3-[[2-[4-[5-oxidanylidene-5-[[(E)-2-pyridin-3-ylethenyl]amino]pentyl]piperidin-1-yl]carbonylphenyl]hydrazinylidene]cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-[(3E)-4-oxo-3-[[2-[4-[5-oxo-5-[[(E)-2-(3-pyridyl)vinyl]amino]pentyl]piperidine-1-carbonyl]phenyl]hydrazono]cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[(3E)-4-oxo-3-[[2-[oxo-[4-[5-oxo-5-[[(E)-2-(3-pyridinyl)ethenyl]amino]pentyl]-1-piperidinyl]methyl]phenyl]hydrazinylidene]-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 2-amino-3-[(3E)-4-oxo-3-[[2-[4-[5-oxo-5-[[(E)-2-pyridin-3-ylethenyl]amino]pentyl]piperidine-1-carbonyl]phenyl]hydrazinylidene]cyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 2-amino-3-[(3E)-4-keto-3-[[2-[4-[5-keto-5-[[(E)-2-(3-pyridyl)vinyl]amino]pentyl]piperidine-1-carbonyl]phenyl]hydrazono]cyclohexa-1,5-dien-1-yl]propionic acid Formula: C33H38N6O5 MolecularWeight: 598.69202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCCC(=O)NC=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3NN=C4C=C(C=CC4=O)CC(C(=O)O)N

Isomeric SMILES

C1CN(CCC1CCCCC(=O)N/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3N/N=C/4\C=C(C=CC4=O)CC(C(=O)O)N

InChI

InChI=1S/C33H38N6O5/c34-27(33(43)44)20-25-11-12-30(40)29(21-25)38-37-28-9-3-2-8-26(28)32(42)39-18-14-23(15-19-39)6-1-4-10-31(41)36-17-13-24-7-5-16-35-22-24/h2-3,5,7-9,11-13,16-17,21-23,27,37H,1,4,6,10,14-15,18-20,34H2,(H,36,41)(H,43,44)/b17-13+,38-29+