(phenylmethyl) (2S)-2-[[(2S,3S)-2-[[(2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-(4-hydroxyphenyl)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-5-(2-trimethylsilylethylsulfonylamino)pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoyl]amino]ethanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S,3S)-2-[[(2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-(4-hydroxyphenyl)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-5-(2-trimethylsilylethylsulfonylamino)pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoyl]amino]ethanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetyl]amino]-5-(2-trimethylsilylethylsulfonylamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(2R,3R)-3-hydroxy-2-[[(2R)-2-[[(2R)-2-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-5-(2-trimethylsilylethylsulfonylamino)pentyl]amino]-1-oxobutyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S,3S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(2R,3R)-3-hydroxy-2-[[(2R)-2-[[(2R)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-(2-trimethylsilylethylsulfonylamino)pentanoyl]amino]butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetyl]amino]-5-(2-trimethylsilylethylsulfonylamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C63H82N8O17SSi MolecularWeight: 1283.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C1=CC=C(C=C1)O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)NC(=O)C(CCCNS(=O)(=O)CC[Si](C)(C)C)NC(=O)C(C5=CC=C(C=C5)O)NC(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@H]([C@H](C(=O)N[C@@H](C1=CC=C(C=C1)O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)NC(=O)[C@@H](CCCNS(=O)(=O)CC[Si](C)(C)C)NC(=O)[C@@H](C5=CC=C(C=C5)O)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C63H82N8O17SSi/c1-38(72)50(56(78)66-49(36-40-16-11-9-12-17-40)61(83)87-37-41-18-13-10-14-19-41)68-59(81)52(42-21-27-45(74)28-22-42)70-60(82)53(43-23-29-46(75)30-24-43)69-57(79)51(39(2)73)67-55(77)48(20-15-33-64-89(85,86)34-35-90(6,7)8)65-58(80)54(44-25-31-47(76)32-26-44)71-62(84)88-63(3,4)5/h9-14,16-19,21-32,38-39,48-54,64,72-76H,15,20,33-37H2,1-8H3,(H,65,80)(H,66,78)(H,67,77)(H,68,81)(H,69,79)(H,70,82)(H,71,84)/t38-,39+,48+,49-,50-,51+,52+,53-,54+/m0/s1