(2S,3S,4S,5R,6S)-6-[3-[(4-methoxyphenyl)carbonylamino]-2-[[4-(4-methyl-1,4-diazepan-1-yl)phenyl]carbonylamino]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[3-[(4-methoxyphenyl)carbonylamino]-2-[[4-(4-methyl-1,4-diazepan-1-yl)phenyl]carbonylamino]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(4-methoxybenzoyl)amino]-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[[[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]phenoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(4-methoxybenzoyl)amino]-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenoxy]oxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(p-anisoylamino)phenoxy]tetrahydropyran-2-carboxylic acid Formula: C33H38N4O10 MolecularWeight: 650.67562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1