2-azanyl-4-[[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-carboxy-amino]-4-methylsulfanyl-2-phenyl-butanoic acid

Systemtic Name: 2-azanyl-4-[[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-carboxy-amino]-4-methylsulfanyl-2-phenyl-butanoic acid Openeye Name: 2-amino-4-[[3,4-bis(tert-butoxycarbonyl)-2-piperidyl]-carboxy-amino]-4-methylsulfanyl-2-phenyl-butanoic acid CAS Name: 2-amino-4-[[3,4-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperidinyl]-carboxyamino]-4-(methylthio)-2-phenylbutanoic acid IUPAC Name: 2-amino-4-[[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-carboxyamino]-4-methylsulfanyl-2-phenylbutanoic acid Traditional Name: 2-amino-4-[[3,4-bis(tert-butoxycarbonyl)-2-piperidyl]-carboxy-amino]-4-(methylthio)-2-phenyl-butyric acid Formula: C27H41N3O8S MolecularWeight: 567.69474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCNC(C1C(=O)OC(C)(C)C)N(C(CC(C2=CC=CC=C2)(C(=O)O)N)SC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCNC(C1C(=O)OC(C)(C)C)N(C(CC(C2=CC=CC=C2)(C(=O)O)N)SC)C(=O)O

InChI

InChI=1S/C27H41N3O8S/c1-25(2,3)37-21(31)17-13-14-29-20(19(17)22(32)38-26(4,5)6)30(24(35)36)18(39-7)15-27(28,23(33)34)16-11-9-8-10-12-16/h8-12,17-20,29H,13-15,28H2,1-7H3,(H,33,34)(H,35,36)