3-azanyl-2,2,3-trimethyl-7-(3-methylbutylamino)-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)heptanoic acid

Systemtic Name: 3-azanyl-2,2,3-trimethyl-7-(3-methylbutylamino)-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)heptanoic acid Openeye Name: 3-amino-5-benzyl-6-hydroxy-7-(isopentylamino)-2,2,3-trimethyl-4-oxo-heptanoic acid CAS Name: 3-amino-6-hydroxy-2,2,3-trimethyl-7-(3-methylbutylamino)-4-oxo-5-(phenylmethyl)heptanoic acid IUPAC Name: 3-amino-5-benzyl-6-hydroxy-2,2,3-trimethyl-7-(3-methylbutylamino)-4-oxoheptanoic acid Traditional Name: 3-amino-5-benzyl-6-hydroxy-7-(isoamylamino)-4-keto-2,2,3-trimethyl-enanthic acid Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C(CC1=CC=CC=C1)C(=O)C(C)(C(C)(C)C(=O)O)N)O

Isomeric SMILES

CC(C)CCNCC(C(CC1=CC=CC=C1)C(=O)C(C)(C(C)(C)C(=O)O)N)O

InChI

InChI=1S/C22H36N2O4/c1-15(2)11-12-24-14-18(25)17(13-16-9-7-6-8-10-16)19(26)22(5,23)21(3,4)20(27)28/h6-10,15,17-18,24-25H,11-14,23H2,1-5H3,(H,27,28)