2-cyclohexylethyl (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: 2-cyclohexylethyl (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: 2-cyclohexylethyl (3S)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[oxo-[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid 2-cyclohexylethyl ester IUPAC Name: 2-cyclohexylethyl (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]-3-(3-pyridyl)propionic acid 2-cyclohexylethyl ester Formula: C30H46N4O4 MolecularWeight: 526.71064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)CC(C2=CN=CC=C2)NC(=O)C3CCCN(C3)C(=O)CCC4CCNCC4

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C[C@@H](C2=CN=CC=C2)NC(=O)[C@@H]3CCCN(C3)C(=O)CCC4CCNCC4

InChI

InChI=1S/C30H46N4O4/c35-28(11-10-24-12-16-31-17-13-24)34-18-5-9-26(22-34)30(37)33-27(25-8-4-15-32-21-25)20-29(36)38-19-14-23-6-2-1-3-7-23/h4,8,15,21,23-24,26-27,31H,1-3,5-7,9-14,16-20,22H2,(H,33,37)/t26-,27+/m1/s1