2-[(2-acetamido-4-methyl-pentanoyl)amino]-6-azanyl-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)hexanamide

Systemtic Name: 2-[(2-acetamido-4-methyl-pentanoyl)amino]-6-azanyl-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)hexanamide Openeye Name: 2-[(2-acetamido-4-methyl-pentanoyl)amino]-6-amino-N-(2-amino-1-benzyl-2-oxo-ethyl)hexanamide CAS Name: 2-[(2-acetamido-4-methyl-1-oxopentyl)amino]-6-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)hexanamide IUPAC Name: 2-[(2-acetamido-4-methylpentanoyl)amino]-6-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)hexanamide Traditional Name: 2-[(2-acetamido-4-methyl-pentanoyl)amino]-6-amino-N-(2-amino-1-benzyl-2-keto-ethyl)hexanamide Formula: C23H37N5O4 MolecularWeight: 447.57098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C

InChI

InChI=1S/C23H37N5O4/c1-15(2)13-20(26-16(3)29)23(32)27-18(11-7-8-12-24)22(31)28-19(21(25)30)14-17-9-5-4-6-10-17/h4-6,9-10,15,18-20H,7-8,11-14,24H2,1-3H3,(H2,25,30)(H,26,29)(H,27,32)(H,28,31)