(2S)-N-[(1S)-2-azanyl-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanylidene-ethyl]-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]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(1S)-2-azanyl-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanylidene-ethyl]-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]pyrrolidine-2-carboxamide Openeye Name: (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]-N-[(1S)-2-amino-2-oxo-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]pyrrolidine-2-carboxamide CAS Name: (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]-N-[(1S)-2-amino-2-oxo-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (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]-N-[(1S)-2-amino-2-oxo-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pyrrolidine-2-carboxamide Traditional Name: (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]-N-[(1S)-2-amino-2-keto-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]pyrrolidine-2-carboxamide Formula: C45H58N8O15 MolecularWeight: 950.98662

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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(C(=O)N)OC4C(C(C(C(O4)CO)O)O)O)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](C(=O)N)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C45H58N8O15/c1-23(49-40(63)29(46)18-25-9-13-27(55)14-10-25)39(62)51-30(19-24-6-3-2-4-7-24)41(64)48-21-34(57)50-31(20-26-11-15-28(56)16-12-26)44(66)53-17-5-8-32(53)42(65)52-43(38(47)61)68-45-37(60)36(59)35(58)33(22-54)67-45/h2-4,6-7,9-16,23,29-33,35-37,43,45,54-56,58-60H,5,8,17-22,46H2,1H3,(H2,47,61)(H,48,64)(H,49,63)(H,50,57)(H,51,62)(H,52,65)/t23-,29+,30+,31+,32+,33-,35+,36+,37-,43+,45-/m1/s1