6-[(5-acetamido-2-azido-phenyl)carbonyl-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]-3-phenyl-hexanoic acid

Systemtic Name: 6-[(5-acetamido-2-azido-phenyl)carbonyl-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]-3-phenyl-hexanoic acid Openeye Name: 6-[(5-acetamido-2-azido-benzoyl)-[2-(cyclohexylamino)-2-oxo-ethyl]amino]-3-phenyl-hexanoic acid CAS Name: 6-[[(5-acetamido-2-azidophenyl)-oxomethyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]-3-phenylhexanoic acid IUPAC Name: 6-[(5-acetamido-2-azidobenzoyl)-[2-(cyclohexylamino)-2-oxoethyl]amino]-3-phenylhexanoic acid Traditional Name: 6-[(5-acetamido-2-azido-benzoyl)-[2-(cyclohexylamino)-2-keto-ethyl]amino]-3-phenyl-hexanoic acid Formula: C29H36N6O5 MolecularWeight: 548.63334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N=[N+]=[N-])C(=O)N(CCCC(CC(=O)O)C2=CC=CC=C2)CC(=O)NC3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N=[N+]=[N-])C(=O)N(CCCC(CC(=O)O)C2=CC=CC=C2)CC(=O)NC3CCCCC3

InChI

InChI=1S/C29H36N6O5/c1-20(36)31-24-14-15-26(33-34-30)25(18-24)29(40)35(19-27(37)32-23-12-6-3-7-13-23)16-8-11-22(17-28(38)39)21-9-4-2-5-10-21/h2,4-5,9-10,14-15,18,22-23H,3,6-8,11-13,16-17,19H2,1H3,(H,31,36)(H,32,37)(H,38,39)