2-[[(2R)-2-[[(2S)-2-[(3S)-3-[[2-[(1S)-1-azanyl-2-methyl-propyl]-1,3-thiazol-4-yl]carbonyloxy]-7,7-bis(chloranyl)-2,2-dimethyl-octanoyl]oxy-3-methyl-3-oxidanyl-butanoyl]amino]-3-[tert-butyl(diphenyl)silyl]oxy-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[[(2S)-2-[(3S)-3-[[2-[(1S)-1-azanyl-2-methyl-propyl]-1,3-thiazol-4-yl]carbonyloxy]-7,7-bis(chloranyl)-2,2-dimethyl-octanoyl]oxy-3-methyl-3-oxidanyl-butanoyl]amino]-3-[tert-butyl(diphenyl)silyl]oxy-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[(2S)-2-[(3S)-3-[2-[(1S)-1-amino-2-methyl-propyl]thiazole-4-carbonyl]oxy-7,7-dichloro-2,2-dimethyl-octanoyl]oxy-3-hydroxy-3-methyl-butanoyl]amino]-3-[tert-butyl(diphenyl)silyl]oxy-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[(2S)-2-[(3S)-3-[[2-[(1S)-1-amino-2-methylpropyl]-4-thiazolyl]-oxomethoxy]-7,7-dichloro-2,2-dimethyl-1-oxooctoxy]-3-hydroxy-3-methyl-1-oxobutyl]amino]-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[(2S)-2-[(3S)-3-[2-[(1S)-1-amino-2-methylpropyl]-1,3-thiazole-4-carbonyl]oxy-7,7-dichloro-2,2-dimethyloctanoyl]oxy-3-hydroxy-3-methylbutanoyl]amino]-3-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[(2S)-2-[(3S)-3-[2-[(1S)-1-amino-2-methyl-propyl]thiazole-4-carbonyl]oxy-7,7-dichloro-2,2-dimethyl-octanoyl]oxy-3-hydroxy-3-methyl-butanoyl]amino]-3-[tert-butyl(diphenyl)silyl]oxy-propanoyl]amino]acetic acid Formula: C44H62Cl2N4O10SSi MolecularWeight: 938.04038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC(=CS1)C(=O)OC(CCCC(C)(Cl)Cl)C(C)(C)C(=O)OC(C(=O)NC(CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)NCC(=O)O)C(C)(C)O)N

Isomeric SMILES

CC(C)[C@@H](C1=NC(=CS1)C(=O)O[C@@H](CCCC(C)(Cl)Cl)C(C)(C)C(=O)O[C@H](C(=O)N[C@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)NCC(=O)O)C(C)(C)O)N

InChI

InChI=1S/C44H62Cl2N4O10SSi/c1-27(2)34(47)38-50-31(26-61-38)39(55)59-32(22-17-23-44(10,45)46)42(6,7)40(56)60-35(43(8,9)57)37(54)49-30(36(53)48-24-33(51)52)25-58-62(41(3,4)5,28-18-13-11-14-19-28)29-20-15-12-16-21-29/h11-16,18-21,26-27,30,32,34-35,57H,17,22-25,47H2,1-10H3,(H,48,53)(H,49,54)(H,51,52)/t30-,32+,34+,35-/m1/s1