N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-1-[[7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13,16-di(butan-2-yl)-20,20-dimethyl-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-1-[[7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13,16-di(butan-2-yl)-20,20-dimethyl-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]pyrrolidine-2-carboxamide Openeye Name: 1-[7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-13,16-disec-butyl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-butyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-[[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-di(butan-2-yl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-di(butan-2-yl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: 1-[7-(2-amino-2-keto-ethyl)-10-(3-amino-3-keto-propyl)-6,9,12,15,18-pentaketo-20,20-dimethyl-13,16-disec-butyl-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]-N-[1-[(2-amino-2-keto-ethyl)carbamoyl]-2-methyl-butyl]pyrrolidine-2-carboxamide Formula: C42H71N11O11S2 MolecularWeight: 970.21024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)N1)(C)C)C(=O)N2CCCC2C(=O)NC(C(C)CC)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)C(C)CC

Isomeric SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)N1)(C)C)C(=O)N2CCCC2C(=O)NC(C(C)CC)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)C(C)CC

InChI

InChI=1S/C42H71N11O11S2/c1-9-21(4)32(38(61)46-19-30(45)56)51-37(60)27-13-12-16-53(27)41(64)26-20-65-66-42(7,8)18-31(57)50-33(22(5)10-2)40(63)52-34(23(6)11-3)39(62)47-24(14-15-28(43)54)35(58)48-25(17-29(44)55)36(59)49-26/h21-27,32-34H,9-20H2,1-8H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,61)(H,47,62)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,52,63)