(3S)-3-[[(2S)-1-[(2R)-2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-cyclohexyl-propanoyl]-2,5-dihydropyrrol-2-yl]carbonylamino]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-heptanoic acid

Systemtic Name: (3S)-3-[[(2S)-1-[(2R)-2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-cyclohexyl-propanoyl]-2,5-dihydropyrrol-2-yl]carbonylamino]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-heptanoic acid Openeye Name: (3S)-7-(tert-butoxycarbonylamino)-3-[[(2S)-1-[(2R)-2-[tert-butoxycarbonyl(carboxymethyl)amino]-3-cyclohexyl-propanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-2-hydroxy-heptanoic acid CAS Name: (3S)-3-[[[(2S)-1-[(2R)-2-[carboxymethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-cyclohexyl-1-oxopropyl]-2,5-dihydropyrrol-2-yl]-oxomethyl]amino]-2-hydroxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanoic acid IUPAC Name: (3S)-3-[[(2S)-1-[(2R)-2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-cyclohexylpropanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-2-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid Traditional Name: (3S)-7-(tert-butoxycarbonylamino)-3-[[(2S)-1-[(2R)-2-[tert-butoxycarbonyl(carboxymethyl)amino]-3-cyclohexyl-propanoyl]-3-pyrroline-2-carbonyl]amino]-2-hydroxy-enanthic acid Formula: C33H54N4O11 MolecularWeight: 682.80206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(C(=O)O)O)NC(=O)C1C=CCN1C(=O)C(CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(C(=O)O)O)NC(=O)[C@@H]1C=CCN1C(=O)[C@@H](CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H54N4O11/c1-32(2,3)47-30(45)34-17-11-10-15-22(26(40)29(43)44)35-27(41)23-16-12-18-36(23)28(42)24(19-21-13-8-7-9-14-21)37(20-25(38)39)31(46)48-33(4,5)6/h12,16,21-24,26,40H,7-11,13-15,17-20H2,1-6H3,(H,34,45)(H,35,41)(H,38,39)(H,43,44)/t22-,23-,24+,26?/m0/s1