4-azanyl-2-[2-(ethylamino)ethanoyl-(5-piperidin-4-ylpentanoyl)amino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid

Systemtic Name: 4-azanyl-2-[2-(ethylamino)ethanoyl-(5-piperidin-4-ylpentanoyl)amino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid Openeye Name: 4-amino-2-[[2-(ethylamino)acetyl]-[5-(4-piperidyl)pentanoyl]amino]-2-isopropyl-3-oxo-hexanedioic acid CAS Name: 4-amino-2-[[2-(ethylamino)-1-oxoethyl]-[1-oxo-5-(4-piperidinyl)pentyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid IUPAC Name: 4-amino-2-[[2-(ethylamino)acetyl]-(5-piperidin-4-ylpentanoyl)amino]-3-oxo-2-propan-2-ylhexanedioic acid Traditional Name: 4-amino-2-[[2-(ethylamino)acetyl]-[5-(4-piperidyl)pentanoyl]amino]-2-isopropyl-3-keto-adipic acid Formula: C23H40N4O7 MolecularWeight: 484.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)N(C(=O)CCCCC1CCNCC1)C(C(C)C)(C(=O)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

CCNCC(=O)N(C(=O)CCCCC1CCNCC1)C(C(C)C)(C(=O)C(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C23H40N4O7/c1-4-25-14-19(29)27(18(28)8-6-5-7-16-9-11-26-12-10-16)23(15(2)3,22(33)34)21(32)17(24)13-20(30)31/h15-17,25-26H,4-14,24H2,1-3H3,(H,30,31)(H,33,34)