3-[3-[4-aminocarbonyl-4-methyl-5-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-6-phenyl-hexan-2-yl]oxy-1-azanyl-3-oxidanylidene-propyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[3-[4-aminocarbonyl-4-methyl-5-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-6-phenyl-hexan-2-yl]oxy-1-azanyl-3-oxidanylidene-propyl]piperidine-1-carboxylic acid Openeye Name: 3-[1-amino-3-[3-carbamoyl-1,3-dimethyl-4-(2-naphthylsulfonylamino)-2-oxo-5-phenyl-pentoxy]-3-oxo-propyl]piperidine-1-carboxylic acid CAS Name: 3-[1-amino-3-[4-carbamoyl-4-methyl-5-(2-naphthalenylsulfonylamino)-3-oxo-6-phenylhexan-2-yl]oxy-3-oxopropyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[1-amino-3-[4-carbamoyl-4-methyl-5-(naphthalen-2-ylsulfonylamino)-3-oxo-6-phenylhexan-2-yl]oxy-3-oxopropyl]piperidine-1-carboxylic acid Traditional Name: 3-[1-amino-3-[3-carbamoyl-2-keto-1,3-dimethyl-4-(2-naphthylsulfonylamino)-5-phenyl-pentoxy]-3-keto-propyl]piperidine-1-carboxylic acid Formula: C33H40N4O8S MolecularWeight: 652.7577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C)(C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N)OC(=O)CC(C4CCCN(C4)C(=O)O)N

Isomeric SMILES

CC(C(=O)C(C)(C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N)OC(=O)CC(C4CCCN(C4)C(=O)O)N

InChI

InChI=1S/C33H40N4O8S/c1-21(45-29(38)19-27(34)25-13-8-16-37(20-25)32(41)42)30(39)33(2,31(35)40)28(17-22-9-4-3-5-10-22)36-46(43,44)26-15-14-23-11-6-7-12-24(23)18-26/h3-7,9-12,14-15,18,21,25,27-28,36H,8,13,16-17,19-20,34H2,1-2H3,(H2,35,40)(H,41,42)