(3R)-3,8-bis(azanyl)-4-oxidanylidene-3-[(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]tridecanoic acid

Systemtic Name: (3R)-3,8-bis(azanyl)-4-oxidanylidene-3-[(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]tridecanoic acid Openeye Name: (3R)-3,8-diamino-3-[(2-anilino-2-oxo-ethyl)carbamoyl]-4-oxo-tridecanoic acid CAS Name: (3R)-3,8-diamino-3-[[(2-anilino-2-oxoethyl)amino]-oxomethyl]-4-oxotridecanoic acid IUPAC Name: (3R)-3,8-diamino-3-[(2-anilino-2-oxoethyl)carbamoyl]-4-oxotridecanoic acid Traditional Name: (3R)-3,8-diamino-3-[(2-anilino-2-keto-ethyl)carbamoyl]-4-keto-tridecanoic acid Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(=O)C(CC(=O)O)(C(=O)NCC(=O)NC1=CC=CC=C1)N)N

Isomeric SMILES

CCCCCC(CCCC(=O)[C@](CC(=O)O)(C(=O)NCC(=O)NC1=CC=CC=C1)N)N

InChI

InChI=1S/C22H34N4O5/c1-2-3-5-9-16(23)10-8-13-18(27)22(24,14-20(29)30)21(31)25-15-19(28)26-17-11-6-4-7-12-17/h4,6-7,11-12,16H,2-3,5,8-10,13-15,23-24H2,1H3,(H,25,31)(H,26,28)(H,29,30)/t16?,22-/m1/s1