(3S)-3-[[(2S)-1-[(2R)-2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-cyclohexyl-propanoyl]-3,3-dimethyl-pyrrolidin-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]-3,3-dimethyl-pyrrolidin-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]-3,3-dimethyl-pyrrolidine-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]-3,3-dimethyl-2-pyrrolidinyl]-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]-3,3-dimethylpyrrolidine-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]-3,3-dimethyl-prolyl]amino]-2-hydroxy-enanthic acid Formula: C35H60N4O11 MolecularWeight: 712.8711

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(C(=O)O)O)C(=O)C(CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CCN([C@@H]1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(C(=O)O)O)C(=O)[C@@H](CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C35H60N4O11/c1-33(2,3)49-31(47)36-18-13-12-16-23(26(42)30(45)46)37-28(43)27-35(7,8)17-19-38(27)29(44)24(20-22-14-10-9-11-15-22)39(21-25(40)41)32(48)50-34(4,5)6/h22-24,26-27,42H,9-21H2,1-8H3,(H,36,47)(H,37,43)(H,40,41)(H,45,46)/t23-,24+,26?,27+/m0/s1