[(2S)-3-(4-hydroxyphenyl)-1-[[(2S,3R,4R,5S,6S)-6-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3,4,5-tris(oxidanyl)oxan-2-yl]methylamino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(4-hydroxyphenyl)-1-[[(2S,3R,4R,5S,6S)-6-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3,4,5-tris(oxidanyl)oxan-2-yl]methylamino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[(2S,3R,4R,5S,6S)-6-[[(1S)-1-benzyl-2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxanyl]methylamino]propan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxan-2-yl]methylamino]propan-2-yl]azanium Traditional Name: [(1S)-2-[[(2S,3R,4R,5S,6S)-6-[[(1S)-1-benzyl-2-[[(1S)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]ammonium Formula: C32H45N4O10+ MolecularWeight: 645.7205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(C(C(C(O2)CNC(=O)C(CC3=CC=C(C=C3)O)[NH3+])O)O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=O)[C@H](CC3=CC=C(C=C3)O)[NH3+])O)O)O

InChI

InChI=1S/C32H44N4O10/c1-17(2)13-23(32(44)45-3)36-30(42)22(15-18-7-5-4-6-8-18)35-31(43)28-27(40)26(39)25(38)24(46-28)16-34-29(41)21(33)14-19-9-11-20(37)12-10-19/h4-12,17,21-28,37-40H,13-16,33H2,1-3H3,(H,34,41)(H,35,43)(H,36,42)/p+1/t21-,22-,23-,24-,25-,26+,27-,28-/m0/s1