[(1S,2R,3S,4S,5S)-4-azanyl-3-(dimethylcarbamoylamino)-5-[(3-ethanoylphenyl)amino]-3-ethyl-2-methyl-1,2-bis(oxidanyl)cyclopentyl]methyl 2-methyl-6-oxidanyl-benzoate

Systemtic Name: [(1S,2R,3S,4S,5S)-4-azanyl-3-(dimethylcarbamoylamino)-5-[(3-ethanoylphenyl)amino]-3-ethyl-2-methyl-1,2-bis(oxidanyl)cyclopentyl]methyl 2-methyl-6-oxidanyl-benzoate Openeye Name: [(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methyl-cyclopentyl]methyl 2-hydroxy-6-methyl-benzoate CAS Name: 2-hydroxy-6-methylbenzoic acid [(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-[[dimethylamino(oxo)methyl]amino]-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl ester IUPAC Name: [(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate Traditional Name: 2-hydroxy-6-methyl-benzoic acid [(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methyl-cyclopentyl]methyl ester Formula: C28H38N4O7 MolecularWeight: 542.62392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C(C1(C)O)(COC(=O)C2=C(C=CC=C2O)C)O)NC3=CC=CC(=C3)C(=O)C)N)NC(=O)N(C)C

Isomeric SMILES

CC[C@@]1([C@H]([C@@H]([C@@]([C@]1(C)O)(COC(=O)C2=C(C=CC=C2O)C)O)NC3=CC=CC(=C3)C(=O)C)N)NC(=O)N(C)C

InChI

InChI=1S/C28H38N4O7/c1-7-27(31-25(36)32(5)6)22(29)23(30-19-12-9-11-18(14-19)17(3)33)28(38,26(27,4)37)15-39-24(35)21-16(2)10-8-13-20(21)34/h8-14,22-23,30,34,37-38H,7,15,29H2,1-6H3,(H,31,36)/t22-,23-,26+,27-,28+/m0/s1