methyl 2-[[(2S,3R,4R,6S)-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3,4-bis(oxidanyl)-6-phenylmethoxy-oxan-2-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[(2S,3R,4R,6S)-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3,4-bis(oxidanyl)-6-phenylmethoxy-oxan-2-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[(2S,3R,4R,6S)-6-benzyloxy-5-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3,4-dihydroxy-tetrahydropyran-2-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[(2S,3R,4R,6S)-3,4-dihydroxy-5-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-6-phenylmethoxy-2-oxanyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[(2S,3R,4R,6S)-3,4-dihydroxy-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-phenylmethoxyoxane-2-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[(2S,3R,4R,6S)-6-benzoxy-5-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3,4-dihydroxy-tetrahydropyran-2-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C33H45N3O10 MolecularWeight: 643.7245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)C(=O)NC(C3=CC=CC=C3)C(=O)OC)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1[C@H]([C@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)C(=O)NC(C3=CC=CC=C3)C(=O)OC)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H45N3O10/c1-19(2)17-22(34-32(42)46-33(3,4)5)28(39)36-24-25(37)26(38)27(45-31(24)44-18-20-13-9-7-10-14-20)29(40)35-23(30(41)43-6)21-15-11-8-12-16-21/h7-16,19,22-27,31,37-38H,17-18H2,1-6H3,(H,34,42)(H,35,40)(H,36,39)/t22-,23?,24?,25+,26+,27-,31-/m0/s1