methyl (4S)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-[6-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxyhexylamino]pentanoate

Systemtic Name: methyl (4S)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-[6-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxyhexylamino]pentanoate Openeye Name: methyl (4S)-4-(benzyloxycarbonylamino)-5-oxo-5-[6-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxyhexylamino]pentanoate CAS Name: (4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-[6-[[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]hexylamino]pentanoic acid methyl ester IUPAC Name: methyl (4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-[6-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyhexylamino]pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-keto-5-[6-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxyhexylamino]valeric acid methyl ester Formula: C32H46N2O13 MolecularWeight: 666.71324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCCCCCCNC(=O)C(CCC(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCCCCCNC(=O)[C@H](CCC(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H46N2O13/c1-20-27(45-21(2)35)28(46-22(3)36)29(47-23(4)37)31(44-20)42-18-12-7-6-11-17-33-30(39)25(15-16-26(38)41-5)34-32(40)43-19-24-13-9-8-10-14-24/h8-10,13-14,20,25,27-29,31H,6-7,11-12,15-19H2,1-5H3,(H,33,39)(H,34,40)/t20-,25-,27+,28+,29-,31-/m0/s1