(2S)-N-butyl-2-[[(2S)-2-cyclohexyl-2-[(6-propan-2-yloxypyridin-2-yl)methylideneamino]ethanoyl]amino]-3-phenyl-propanamide

Systemtic Name: (2S)-N-butyl-2-[[(2S)-2-cyclohexyl-2-[(6-propan-2-yloxypyridin-2-yl)methylideneamino]ethanoyl]amino]-3-phenyl-propanamide Openeye Name: (2S)-N-butyl-2-[[(2S)-2-cyclohexyl-2-[(6-isopropoxy-2-pyridyl)methyleneamino]acetyl]amino]-3-phenyl-propanamide CAS Name: (2S)-N-butyl-2-[[(2S)-2-cyclohexyl-1-oxo-2-[(6-propan-2-yloxy-2-pyridinyl)methylideneamino]ethyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-butyl-2-[[(2S)-2-cyclohexyl-2-[(6-propan-2-yloxypyridin-2-yl)methylideneamino]acetyl]amino]-3-phenylpropanamide Traditional Name: (2S)-N-butyl-2-[[(2S)-2-cyclohexyl-2-[(6-isopropoxy-2-pyridyl)methyleneamino]acetyl]amino]-3-phenyl-propionamide Formula: C30H42N4O3 MolecularWeight: 506.67948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C2CCCCC2)N=CC3=NC(=CC=C3)OC(C)C

Isomeric SMILES

CCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C2CCCCC2)N=CC3=NC(=CC=C3)OC(C)C

InChI

InChI=1S/C30H42N4O3/c1-4-5-19-31-29(35)26(20-23-13-8-6-9-14-23)34-30(36)28(24-15-10-7-11-16-24)32-21-25-17-12-18-27(33-25)37-22(2)3/h6,8-9,12-14,17-18,21-22,24,26,28H,4-5,7,10-11,15-16,19-20H2,1-3H3,(H,31,35)(H,34,36)/t26-,28-/m0/s1