N-[5-azanyl-1-(4-methylpiperidin-2-yl)-1-oxidanylidene-pentan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanamide

Systemtic Name: N-[5-azanyl-1-(4-methylpiperidin-2-yl)-1-oxidanylidene-pentan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanamide Openeye Name: N-[4-amino-1-(4-methylpiperidine-2-carbonyl)butyl]-2-[(2-amino-3-phenyl-propanoyl)amino]-3-methyl-pentanamide CAS Name: N-[5-amino-1-(4-methyl-2-piperidinyl)-1-oxopentan-2-yl]-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methylpentanamide IUPAC Name: N-[5-amino-1-(4-methylpiperidin-2-yl)-1-oxopentan-2-yl]-2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanamide Traditional Name: N-[4-amino-1-(4-methylpipecoloyl)butyl]-3-methyl-2-(phenylalanylamino)valeramide Formula: C26H43N5O3 MolecularWeight: 473.65132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN)C(=O)C1CC(CCN1)C)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCN)C(=O)C1CC(CCN1)C)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C26H43N5O3/c1-4-18(3)23(31-25(33)20(28)16-19-9-6-5-7-10-19)26(34)30-21(11-8-13-27)24(32)22-15-17(2)12-14-29-22/h5-7,9-10,17-18,20-23,29H,4,8,11-16,27-28H2,1-3H3,(H,30,34)(H,31,33)