2-[2-[[(4E)-7,7-bis(azanyl)hepta-1,4,6-trien-3-ylidene]carbamoyl]piperidin-1-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[[(4E)-7,7-bis(azanyl)hepta-1,4,6-trien-3-ylidene]carbamoyl]piperidin-1-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[[(2E)-5,5-diamino-1-vinyl-penta-2,4-dienylidene]carbamoyl]-1-piperidyl]-5-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[[[(4E)-7,7-diaminohepta-1,4,6-trien-3-ylidene]amino]-oxomethyl]-1-piperidinyl]-5-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[[(4E)-7,7-diaminohepta-1,4,6-trien-3-ylidene]carbamoyl]piperidin-1-yl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[[(2E)-5,5-diamino-1-vinyl-penta-2,4-dienylidene]carbamoyl]piperidino]-5-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C27H37N5O5 MolecularWeight: 511.61318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)NC(=O)C1=CC(=C(C=C1)N2CCCCC2C(=O)N=C(C=C)C=CC=C(N)N)C(=O)O

Isomeric SMILES

CC(C)(C)C(CO)NC(=O)C1=CC(=C(C=C1)N2CCCCC2C(=O)N=C(C=C)/C=C/C=C(N)N)C(=O)O

InChI

InChI=1S/C27H37N5O5/c1-5-18(9-8-11-23(28)29)30-25(35)21-10-6-7-14-32(21)20-13-12-17(15-19(20)26(36)37)24(34)31-22(16-33)27(2,3)4/h5,8-9,11-13,15,21-22,33H,1,6-7,10,14,16,28-29H2,2-4H3,(H,31,34)(H,36,37)/b9-8+,30-18?