2-[(3S,6R)-3-[[(2S)-1-ethoxy-1-oxidanylidene-6-piperidin-4-yl-hexan-2-yl]amino]-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,6R)-3-[[(2S)-1-ethoxy-1-oxidanylidene-6-piperidin-4-yl-hexan-2-yl]amino]-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S,6R)-3-[[(1S)-1-ethoxycarbonyl-5-(4-piperidyl)pentyl]amino]-2-oxo-6-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[(3S,6R)-3-[[(2S)-1-ethoxy-1-oxo-6-(4-piperidinyl)hexan-2-yl]amino]-2-oxo-6-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[(3S,6R)-3-[[(2S)-1-ethoxy-1-oxo-6-piperidin-4-ylhexan-2-yl]amino]-2-oxo-6-phenylazepan-1-yl]acetic acid Traditional Name: 2-[(3S,6R)-3-[[(1S)-1-carbethoxy-5-(4-piperidyl)pentyl]amino]-2-keto-6-phenyl-azepan-1-yl]acetic acid Formula: C27H41N3O5 MolecularWeight: 487.63154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1CCNCC1)NC2CCC(CN(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CCCCC1CCNCC1)N[C@H]2CC[C@@H](CN(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H41N3O5/c1-2-35-27(34)24(11-7-6-8-20-14-16-28-17-15-20)29-23-13-12-22(21-9-4-3-5-10-21)18-30(26(23)33)19-25(31)32/h3-5,9-10,20,22-24,28-29H,2,6-8,11-19H2,1H3,(H,31,32)/t22-,23-,24-/m0/s1