(2S)-N'-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]butanediamide

Systemtic Name: (2S)-N'-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]butanediamide Openeye Name: (2S)-N'-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-N-[(1S)-2-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]butanediamide CAS Name: (2S)-N'-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-N-[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]butanediamide IUPAC Name: (2S)-N'-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]butanediamide Traditional Name: (2S)-N'-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-N-[(1S)-2-[[(1S)-2-amino-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]succinamide Formula: C33H52N8O13 MolecularWeight: 768.81178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)NC1C(C(C(C(O1)CO)O)O)NC(=O)C)C(=O)NC(C)C(=O)NC(CO)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C33H52N8O13/c1-5-14(2)24(41-30(51)19(34)10-17-6-8-18(45)9-7-17)32(53)38-20(31(52)36-15(3)29(50)39-21(12-42)28(35)49)11-23(46)40-33-25(37-16(4)44)27(48)26(47)22(13-43)54-33/h6-9,14-15,19-22,24-27,33,42-43,45,47-48H,5,10-13,34H2,1-4H3,(H2,35,49)(H,36,52)(H,37,44)(H,38,53)(H,39,50)(H,40,46)(H,41,51)/t14-,15-,19-,20-,21-,22+,24-,25+,26+,27+,33+/m0/s1