(diphenylmethyl) (3S)-3-[[(2S,3R,4R,5S)-5-[[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (diphenylmethyl) (3S)-3-[[(2S,3R,4R,5S)-5-[[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: benzhydryl (3S)-3-[[(2S,3R,4R,5S)-5-[[(Z,2S)-2-(tert-butoxycarbonylamino)pent-3-enoyl]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-[[(Z,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopent-3-enyl]amino]-1-oxohexyl]amino]propanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (3S)-3-phenyl-3-[[(2S,3R,4R,5S)-2,3,4,6-tetrahydroxy-5-[[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoyl]amino]hexanoyl]amino]propanoate Traditional Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(Z,2S)-2-(tert-butoxycarbonylamino)pent-3-enoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid benzhydryl ester Formula: C38H47N3O10 MolecularWeight: 705.79388

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)O)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C/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)C2=CC=CC=C2)C3=CC=CC=C3)O)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H47N3O10/c1-5-15-27(41-37(49)51-38(2,3)4)35(47)40-29(23-42)31(44)32(45)33(46)36(48)39-28(24-16-9-6-10-17-24)22-30(43)50-34(25-18-11-7-12-19-25)26-20-13-8-14-21-26/h5-21,27-29,31-34,42,44-46H,22-23H2,1-4H3,(H,39,48)(H,40,47)(H,41,49)/b15-5-/t27-,28-,29-,31+,32+,33-/m0/s1