2-[[2-azanyl-3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]-pentyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-azanyl-3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]-pentyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-amino-3-[2-(tert-butoxycarbonylamino)-3-methyl-phenyl]propanoyl]-pentyl-amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-amino-3-[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxopropyl]-pentylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-amino-3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]-pentylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-amino-3-[2-(tert-butoxycarbonylamino)-3-methyl-phenyl]propanoyl]-amyl-amino]-4-(methylthio)butyric acid Formula: C25H41N3O5S MolecularWeight: 495.67514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(CCSC)C(=O)O)C(=O)C(CC1=CC=CC(=C1NC(=O)OC(C)(C)C)C)N

Isomeric SMILES

CCCCCN(C(CCSC)C(=O)O)C(=O)C(CC1=CC=CC(=C1NC(=O)OC(C)(C)C)C)N

InChI

InChI=1S/C25H41N3O5S/c1-7-8-9-14-28(20(23(30)31)13-15-34-6)22(29)19(26)16-18-12-10-11-17(2)21(18)27-24(32)33-25(3,4)5/h10-12,19-20H,7-9,13-16,26H2,1-6H3,(H,27,32)(H,30,31)