2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-methyl-N-(phenylmethyl)pentanamide hydrochloride

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-methyl-N-(phenylmethyl)pentanamide hydrochloride Openeye Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-N-benzyl-3-methyl-pentanamide hydrochloride CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-methyl-N-(phenylmethyl)pentanamide hydrochloride IUPAC Name: 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-N-benzyl-3-methylpentanamide hydrochloride Traditional Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-N-benzyl-3-methyl-valeramide hydrochloride Formula: C28H41ClN4O4 MolecularWeight: 533.10254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C(C(C)C)N.Cl

Isomeric SMILES

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C(C(C)C)N.Cl

InChI

InChI=1S/C28H40N4O4.ClH/c1-6-19(4)25(28(35)30-17-21-10-8-7-9-11-21)32-26(33)23(31-27(34)24(29)18(2)3)16-20-12-14-22(36-5)15-13-20;/h7-15,18-19,23-25H,6,16-17,29H2,1-5H3,(H,30,35)(H,31,34)(H,32,33);1H