tert-butyl (1S,4E,9R,12S,15R)-9-[(1S,3R)-4-(butylamino)-3-methyl-1-oxidanyl-4-oxidanylidene-butyl]-12-methyl-11,14-bis(oxidanylidene)-7-thia-10,13,16-triazabicyclo[13.4.0]nonadec-4-ene-16-carboxylate

Systemtic Name: tert-butyl (1S,4E,9R,12S,15R)-9-[(1S,3R)-4-(butylamino)-3-methyl-1-oxidanyl-4-oxidanylidene-butyl]-12-methyl-11,14-bis(oxidanylidene)-7-thia-10,13,16-triazabicyclo[13.4.0]nonadec-4-ene-16-carboxylate Openeye Name: tert-butyl (1S,4E,9R,12S,15R)-9-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxo-butyl]-12-methyl-11,14-dioxo-7-thia-10,13,16-triazabicyclo[13.4.0]nonadec-4-ene-16-carboxylate CAS Name: (1S,4E,9R,12S,15R)-9-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-12-methyl-11,14-dioxo-7-thia-10,13,16-triazabicyclo[13.4.0]nonadec-4-ene-16-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4E,9R,12S,15R)-9-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-12-methyl-11,14-dioxo-7-thia-10,13,16-triazabicyclo[13.4.0]nonadec-4-ene-16-carboxylate Traditional Name: (1S,4E,9R,12S,15R)-9-[(1S,3R)-4-(butylamino)-1-hydroxy-4-keto-3-methyl-butyl]-11,14-diketo-12-methyl-7-thia-10,13,16-triazabicyclo[13.4.0]nonadec-4-ene-16-carboxylic acid tert-butyl ester Formula: C30H52N4O6S MolecularWeight: 596.82208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C1CSCC=CCCC2CCCN(C2C(=O)NC(C(=O)N1)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC/C=C/CC[C@H]2CCCN([C@H]2C(=O)N[C@H](C(=O)N1)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C30H52N4O6S/c1-7-8-15-31-26(36)20(2)18-24(35)23-19-41-17-11-9-10-13-22-14-12-16-34(29(39)40-30(4,5)6)25(22)28(38)32-21(3)27(37)33-23/h9,11,20-25,35H,7-8,10,12-19H2,1-6H3,(H,31,36)(H,32,38)(H,33,37)/b11-9+/t20-,21+,22+,23+,24+,25-/m1/s1