2-(1-adamantyl)-5-azanyl-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-4-oxidanylidene-heptanedioic acid

Systemtic Name: 2-(1-adamantyl)-5-azanyl-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-4-oxidanylidene-heptanedioic acid Openeye Name: 2-(1-adamantyl)-5-amino-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-4-oxo-heptanedioic acid CAS Name: 2-(1-adamantyl)-5-amino-2-[[2-(ethylamino)-1-oxoethyl]-[1-oxo-4-(4-piperidinyl)butyl]amino]-4-oxoheptanedioic acid IUPAC Name: 2-(1-adamantyl)-5-amino-2-[[2-(ethylamino)acetyl]-(4-piperidin-4-ylbutanoyl)amino]-4-oxoheptanedioic acid Traditional Name: 2-(1-adamantyl)-5-amino-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-4-keto-pimelic acid Formula: C30H48N4O7 MolecularWeight: 576.72472

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)N(C(=O)CCCC1CCNCC1)C(CC(=O)C(CC(=O)O)N)(C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCNCC(=O)N(C(=O)CCCC1CCNCC1)C(CC(=O)C(CC(=O)O)N)(C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C30H48N4O7/c1-2-32-18-26(37)34(25(36)5-3-4-19-6-8-33-9-7-19)30(28(40)41,17-24(35)23(31)13-27(38)39)29-14-20-10-21(15-29)12-22(11-20)16-29/h19-23,32-33H,2-18,31H2,1H3,(H,38,39)(H,40,41)