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

Systemtic Name: (diphenylmethyl) (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: benzhydryl (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-(tert-butoxycarbonylamino)butanoyl]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)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]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-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]hexanoyl]amino]propanoate Traditional Name: (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-(tert-butoxycarbonylamino)butanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid benzhydryl ester Formula: C37H47N3O10 MolecularWeight: 693.78318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CC[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/C37H47N3O10/c1-5-26(40-36(48)50-37(2,3)4)34(46)39-28(22-41)30(43)31(44)32(45)35(47)38-27(23-15-9-6-10-16-23)21-29(42)49-33(24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,26-28,30-33,41,43-45H,5,21-22H2,1-4H3,(H,38,47)(H,39,46)(H,40,48)/t26-,27-,28-,30+,31+,32-/m0/s1