(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]butanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]butanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]butanoyl]amino]-4-amino-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3R)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxobutyl]amino]-4-amino-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-amino-3-methylbutanoyl]amino]butanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]butanoyl]amino]-4-amino-4-keto-butanoyl]prolyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C38H58N8O15 MolecularWeight: 866.91172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C(=O)NC(CC(=O)N)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@H](C(C)C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C

InChI

InChI=1S/C38H58N8O15/c1-16(2)27(40)34(55)45-28(18(4)60-38-29(42-19(5)48)31(52)30(51)25(15-47)61-38)35(56)43-22(14-26(39)50)36(57)46-12-6-7-24(46)33(54)41-17(3)32(53)44-23(37(58)59)13-20-8-10-21(49)11-9-20/h8-11,16-18,22-25,27-31,38,47,49,51-52H,6-7,12-15,40H2,1-5H3,(H2,39,50)(H,41,54)(H,42,48)(H,43,56)(H,44,53)(H,45,55)(H,58,59)/t17-,18+,22-,23-,24-,25+,27-,28-,29+,30-,31+,38-/m0/s1