3-azanyl-5-(heptylamino)-2-indolizin-3-yl-3,4-dimethyl-5-oxidanylidene-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 3-azanyl-5-(heptylamino)-2-indolizin-3-yl-3,4-dimethyl-5-oxidanylidene-2-(phenylcarbonyl)pentanoic acid Openeye Name: 3-amino-2-benzoyl-5-(heptylamino)-2-indolizin-3-yl-3,4-dimethyl-5-oxo-pentanoic acid CAS Name: 3-amino-2-benzoyl-5-(heptylamino)-2-(3-indolizinyl)-3,4-dimethyl-5-oxopentanoic acid IUPAC Name: 3-amino-2-benzoyl-5-(heptylamino)-2-indolizin-3-yl-3,4-dimethyl-5-oxopentanoic acid Traditional Name: 3-amino-2-benzoyl-5-(heptylamino)-2-indolizin-3-yl-5-keto-3,4-dimethyl-valeric acid Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C(C)C(C)(C(C1=CC=C2N1C=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CCCCCCCNC(=O)C(C)C(C)(C(C1=CC=C2N1C=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C29H37N3O4/c1-4-5-6-7-12-19-31-26(34)21(2)28(3,30)29(27(35)36,25(33)22-14-9-8-10-15-22)24-18-17-23-16-11-13-20-32(23)24/h8-11,13-18,20-21H,4-7,12,19,30H2,1-3H3,(H,31,34)(H,35,36)