2-(2-azanylethyl)-4-[[4-(heptanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-azanylethyl)-4-[[4-(heptanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanylidene-butanoic acid Openeye Name: 2-(2-aminoethyl)-4-[[4-(heptanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]-3-oxo-butanoic acid CAS Name: 2-(2-aminoethyl)-4-[[5-hydroxy-1,5-dioxo-4-(1-oxoheptylamino)pentyl]amino]-3-oxobutanoic acid IUPAC Name: 2-(2-aminoethyl)-4-[[4-(heptanoylamino)-5-hydroxy-5-oxopentanoyl]amino]-3-oxobutanoic acid Traditional Name: 2-(2-aminoethyl)-4-[[4-(enanthylamino)-5-hydroxy-5-keto-pentanoyl]amino]-3-keto-butyric acid Formula: C18H31N3O7 MolecularWeight: 401.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CCC(=O)NCC(=O)C(CCN)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC(CCC(=O)NCC(=O)C(CCN)C(=O)O)C(=O)O

InChI

InChI=1S/C18H31N3O7/c1-2-3-4-5-6-16(24)21-13(18(27)28)7-8-15(23)20-11-14(22)12(9-10-19)17(25)26/h12-13H,2-11,19H2,1H3,(H,20,23)(H,21,24)(H,25,26)(H,27,28)