tert-butyl (1S,4S,7R,11E,15R)-7-[(1S,3R)-4-(butylamino)-3-methyl-1-oxidanyl-4-oxidanylidene-butyl]-4-methyl-2,5-bis(oxidanylidene)-9,14-dithia-3,6,17-triazabicyclo[13.4.0]nonadec-11-ene-17-carboxylate

Systemtic Name: tert-butyl (1S,4S,7R,11E,15R)-7-[(1S,3R)-4-(butylamino)-3-methyl-1-oxidanyl-4-oxidanylidene-butyl]-4-methyl-2,5-bis(oxidanylidene)-9,14-dithia-3,6,17-triazabicyclo[13.4.0]nonadec-11-ene-17-carboxylate Openeye Name: tert-butyl (1S,4S,7R,11E,15R)-7-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxo-butyl]-4-methyl-2,5-dioxo-9,14-dithia-3,6,17-triazabicyclo[13.4.0]nonadec-11-ene-17-carboxylate CAS Name: (1S,4S,7R,11E,15R)-7-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-4-methyl-2,5-dioxo-9,14-dithia-3,6,17-triazabicyclo[13.4.0]nonadec-11-ene-17-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S,7R,11E,15R)-7-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-4-methyl-2,5-dioxo-9,14-dithia-3,6,17-triazabicyclo[13.4.0]nonadec-11-ene-17-carboxylate Traditional Name: (1S,4S,7R,11E,15R)-7-[(1S,3R)-4-(butylamino)-1-hydroxy-4-keto-3-methyl-butyl]-2,5-diketo-4-methyl-9,14-dithia-3,6,17-triazabicyclo[13.4.0]nonadec-11-ene-17-carboxylic acid tert-butyl ester Formula: C29H50N4O6S2 MolecularWeight: 614.8605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C1CSCC=CCSC2CN(CCC2C(=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/CS[C@H]2CN(CC[C@H]2C(=O)N[C@H](C(=O)N1)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C29H50N4O6S2/c1-7-8-12-30-25(35)19(2)16-23(34)22-18-40-14-9-10-15-41-24-17-33(28(38)39-29(4,5)6)13-11-21(24)27(37)31-20(3)26(36)32-22/h9-10,19-24,34H,7-8,11-18H2,1-6H3,(H,30,35)(H,31,37)(H,32,36)/b10-9+/t19-,20+,21-,22+,23+,24+/m1/s1