2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-cyclohexyl-3-(2-methylpropylimino)propan-2-yl]pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-cyclohexyl-3-(2-methylpropylimino)propan-2-yl]pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-(cyclohexylmethyl)-2-isobutylimino-ethyl]pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methyl-1-oxobutyl)amino]-N-[1-cyclohexyl-3-(2-methylpropylimino)propan-2-yl]pentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(3-methylbutanoyl)amino]-N-[1-cyclohexyl-3-(2-methylpropylimino)propan-2-yl]pentanamide Traditional Name: N-[1-(cyclohexylmethyl)-2-isobutylimino-ethyl]-2-[isovaleryl(phenylalanyl)amino]valeramide Formula: C32H52N4O3 MolecularWeight: 540.78028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1CCCCC1)C=NCC(C)C)N(C(=O)CC(C)C)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCC(C(=O)NC(CC1CCCCC1)C=NCC(C)C)N(C(=O)CC(C)C)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C32H52N4O3/c1-6-13-29(31(38)35-27(22-34-21-24(4)5)19-25-14-9-7-10-15-25)36(30(37)18-23(2)3)32(39)28(33)20-26-16-11-8-12-17-26/h8,11-12,16-17,22-25,27-29H,6-7,9-10,13-15,18-21,33H2,1-5H3,(H,35,38)