N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-2-[[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]pentanediamide

Systemtic Name: N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-2-[[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]pentanediamide Openeye Name: 2-[[2-amino-3-(4-benzyloxyphenyl)propanoyl]amino]-N-(1-carbamoyl-3-methyl-butyl)pentanediamide CAS Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-[[2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]pentanediamide IUPAC Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]pentanediamide Traditional Name: 2-[[2-amino-3-(4-benzoxyphenyl)propanoyl]amino]-N-(1-carbamoyl-3-methyl-butyl)glutaramide Formula: C27H37N5O5 MolecularWeight: 511.61318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C27H37N5O5/c1-17(2)14-23(25(30)34)32-27(36)22(12-13-24(29)33)31-26(35)21(28)15-18-8-10-20(11-9-18)37-16-19-6-4-3-5-7-19/h3-11,17,21-23H,12-16,28H2,1-2H3,(H2,29,33)(H2,30,34)(H,31,35)(H,32,36)