2-[2-(6-chloranyl-1-benzothiophen-2-yl)ethanoylamino]-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoic acid

Systemtic Name: 2-[2-(6-chloranyl-1-benzothiophen-2-yl)ethanoylamino]-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoic acid Openeye Name: 5-[2-(1-benzyl-4-piperidyl)ethylamino]-2-[[2-(6-chlorobenzothiophen-2-yl)acetyl]amino]-5-oxo-pentanoic acid CAS Name: 2-[[2-(6-chloro-1-benzothiophen-2-yl)-1-oxoethyl]amino]-5-oxo-5-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]pentanoic acid IUPAC Name: 5-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-[[2-(6-chloro-1-benzothiophen-2-yl)acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-[2-(1-benzyl-4-piperidyl)ethylamino]-2-[[2-(6-chlorobenzothiophen-2-yl)acetyl]amino]-5-keto-valeric acid Formula: C29H34ClN3O4S MolecularWeight: 556.11596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=O)CCC(C(=O)O)NC(=O)CC2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCNC(=O)CCC(C(=O)O)NC(=O)CC2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C29H34ClN3O4S/c30-23-7-6-22-16-24(38-26(22)17-23)18-28(35)32-25(29(36)37)8-9-27(34)31-13-10-20-11-14-33(15-12-20)19-21-4-2-1-3-5-21/h1-7,16-17,20,25H,8-15,18-19H2,(H,31,34)(H,32,35)(H,36,37)