(2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]hexanoic acid

Systemtic Name: (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]hexanoic acid Openeye Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]hexanoic acid CAS Name: (2S,4R)-2-butyl-4-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-6-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]hexanoic acid IUPAC Name: (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]hexanoic acid Traditional Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]hexanoic acid Formula: C31H42N6O4 MolecularWeight: 562.70298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NNN=N3)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NNN=N3)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O

InChI

InChI=1S/C31H42N6O4/c1-6-7-8-25(30(40)41)19-24(28(38)33-26(29(39)32-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27-34-36-37-35-27/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H,32,39)(H,33,38)(H,40,41)(H,34,35,36,37)/t24-,25+,26-/m1/s1