[(2R,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2R,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl ester Formula: C33H45N5O12S MolecularWeight: 735.8017

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1C(C(C(C(O1)O)O)O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C33H45N5O12S/c1-51-12-11-22(32(47)49-17-24-27(42)28(43)29(44)33(48)50-24)38-31(46)23(14-18-5-3-2-4-6-18)37-26(41)16-35-25(40)15-36-30(45)21(34)13-19-7-9-20(39)10-8-19/h2-10,21-24,27-29,33,39,42-44,48H,11-17,34H2,1H3,(H,35,40)(H,36,45)(H,37,41)(H,38,46)/t21-,22-,23-,24+,27+,28-,29+,33?/m0/s1