N-[4-[2-azanylpropanoyl-[2-(hydroxymethyl)-3-oxidanylidene-butanoyl]amino]phenyl]-6-oxidanylidene-heptanamide

Systemtic Name: N-[4-[2-azanylpropanoyl-[2-(hydroxymethyl)-3-oxidanylidene-butanoyl]amino]phenyl]-6-oxidanylidene-heptanamide Openeye Name: N-[4-[2-aminopropanoyl-[2-(hydroxymethyl)-3-oxo-butanoyl]amino]phenyl]-6-oxo-heptanamide CAS Name: N-[4-[(2-amino-1-oxopropyl)-[2-(hydroxymethyl)-1,3-dioxobutyl]amino]phenyl]-6-oxoheptanamide IUPAC Name: N-[4-[2-aminopropanoyl-[2-(hydroxymethyl)-3-oxobutanoyl]amino]phenyl]-6-oxoheptanamide Traditional Name: N-[4-[alanyl-(3-keto-2-methylol-butanoyl)amino]phenyl]-6-keto-enanthamide Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC=C(C=C1)NC(=O)CCCCC(=O)C)C(=O)C(CO)C(=O)C)N

Isomeric SMILES

CC(C(=O)N(C1=CC=C(C=C1)NC(=O)CCCCC(=O)C)C(=O)C(CO)C(=O)C)N

InChI

InChI=1S/C21H29N3O6/c1-13(26)6-4-5-7-19(28)23-16-8-10-17(11-9-16)24(20(29)14(2)22)21(30)18(12-25)15(3)27/h8-11,14,18,25H,4-7,12,22H2,1-3H3,(H,23,28)