[(2R,3S,4R,5R,6S)-3-acetyloxy-4,5,6-tris(oxidanyl)oxan-2-yl]methyl (2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3-acetyloxy-4,5,6-tris(oxidanyl)oxan-2-yl]methyl (2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: [(2R,3S,4R,5R,6S)-3-acetoxy-4,5,6-trihydroxy-tetrahydropyran-2-yl]methyl (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid [(2R,3S,4R,5R,6S)-3-acetyloxy-4,5,6-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3-acetyloxy-4,5,6-trihydroxyoxan-2-yl]methyl (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-hydroxy-propionic acid [(2R,3S,4R,5R,6S)-3-acetoxy-4,5,6-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C48H61N7O17 MolecularWeight: 1008.03464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CO)C(=O)OCC4C(C(C(C(O4)O)O)O)OC(=O)C)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O)O)O)OC(=O)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C48H61N7O17/c1-25(51-43(64)32(49)19-28-10-14-30(58)15-11-28)42(63)53-33(20-27-7-4-3-5-8-27)44(65)50-22-38(60)52-34(21-29-12-16-31(59)17-13-29)46(67)55-18-6-9-36(55)45(66)54-35(23-56)47(68)70-24-37-41(71-26(2)57)39(61)40(62)48(69)72-37/h3-5,7-8,10-17,25,32-37,39-41,48,56,58-59,61-62,69H,6,9,18-24,49H2,1-2H3,(H,50,65)(H,51,64)(H,52,60)(H,53,63)(H,54,66)/t25-,32+,33+,34+,35+,36+,37-,39-,40-,41-,48+/m1/s1