methyl (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-phenyl-3-[[(2S,3R,4R,5S)-2,3,4,6-tetrahydroxy-5-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-phenyl-3-[[(2S,3R,4R,5S)-2,3,4,6-tetrahydroxy-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]hexanoyl]amino]propanoate Traditional Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H43N3O10 MolecularWeight: 569.64442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)OC)C1=CC=CC=C1)O)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)N[C@@H](CC(=O)OC)C1=CC=CC=C1)O)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H43N3O10/c1-15(2)12-18(30-26(38)40-27(3,4)5)24(36)29-19(14-31)21(33)22(34)23(35)25(37)28-17(13-20(32)39-6)16-10-8-7-9-11-16/h7-11,15,17-19,21-23,31,33-35H,12-14H2,1-6H3,(H,28,37)(H,29,36)(H,30,38)/t17-,18-,19-,21+,22+,23-/m0/s1