3-[(1R,10S,16E)-7,7-dimethyl-3,6,9,19,22-pentakis(oxidanylidene)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-21-yl]propanoic acid

Systemtic Name: 3-[(1R,10S,16E)-7,7-dimethyl-3,6,9,19,22-pentakis(oxidanylidene)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-21-yl]propanoic acid Openeye Name: 3-[(1R,10S,16E)-7,7-dimethyl-3,6,9,19,22-pentaoxo-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-21-yl]propanoic acid CAS Name: 3-[(1R,10S,16E)-7,7-dimethyl-3,6,9,19,22-pentaoxo-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-21-yl]propanoic acid IUPAC Name: 3-[(1R,10S,16E)-7,7-dimethyl-3,6,9,19,22-pentaoxo-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-21-yl]propanoic acid Traditional Name: 3-[(1R,10S,16E)-3,6,9,19,22-pentaketo-7,7-dimethyl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-21-yl]propionic acid Formula: C21H30N4O8S2 MolecularWeight: 530.6149

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)CCC(=O)O)C

Isomeric SMILES

CC1(C(=O)NCC(=O)O[C@@H]\2CC(=O)NC(C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)CCC(=O)O)C

InChI

InChI=1S/C21H30N4O8S2/c1-21(2)20(32)22-10-17(29)33-12-5-3-4-8-34-35-11-14(19(31)25-21)24-18(30)13(6-7-16(27)28)23-15(26)9-12/h3,5,12-14H,4,6-11H2,1-2H3,(H,22,32)(H,23,26)(H,24,30)(H,25,31)(H,27,28)/b5-3+/t12-,13?,14+/m0/s1