[4-[(2S)-3-[[2-[[2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-phenylmethoxy-oxan-2-yl]methylamino]pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] (phenylmethyl) carbonate

Systemtic Name: [4-[(2S)-3-[[2-[[2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-phenylmethoxy-oxan-2-yl]methylamino]pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] (phenylmethyl) carbonate Openeye Name: benzyl [4-[(2S)-3-[[2-[[2-[[(1S)-1-benzyl-2-[[(1S)-1-[[(2R,3S,4S,5R,6R)-6-benzyloxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methylcarbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-(benzyloxycarbonylamino)-3-oxo-propyl]phenyl] carbonate CAS Name: carbonic acid [4-[(2S)-3-[[2-[[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxy-2-oxanyl]methylamino]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] (phenylmethyl) ester IUPAC Name: benzyl [4-[(2S)-3-[[2-[[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methylamino]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] carbonate Traditional Name: carbonic acid [4-[(2S)-3-[[2-[[2-[[(1S)-2-[[(1S)-1-[[(2R,3S,4S,5R,6R)-6-benzoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methylcarbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-(benzyloxycarbonylamino)-3-keto-propyl]phenyl] benzyl ester Formula: C57H66N6O15 MolecularWeight: 1075.16514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1C(C(C(C(O1)OCC2=CC=CC=C2)O)O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)C(CC4=CC=C(C=C4)OC(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)O)O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)OC(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C57H66N6O15/c1-36(2)27-43(52(69)59-30-46-49(66)50(67)51(68)55(78-46)74-33-39-17-9-4-10-18-39)62-54(71)45(28-37-15-7-3-8-16-37)61-48(65)32-58-47(64)31-60-53(70)44(63-56(72)75-34-40-19-11-5-12-20-40)29-38-23-25-42(26-24-38)77-57(73)76-35-41-21-13-6-14-22-41/h3-26,36,43-46,49-51,55,66-68H,27-35H2,1-2H3,(H,58,64)(H,59,69)(H,60,70)(H,61,65)(H,62,71)(H,63,72)/t43-,44-,45-,46+,49+,50-,51+,55+/m0/s1