N-[6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]-1-[[7-(2-azanyl-2-oxidanylidene-ethyl)-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]-1-[[7-(2-azanyl-2-oxidanylidene-ethyl)-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]pyrrolidine-2-carboxamide Openeye Name: N-[5-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]pentyl]-1-[7-(2-amino-2-oxo-ethyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[[7-(2-amino-2-oxoethyl)-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: N-[5-amino-1-[(2-amino-2-keto-ethyl)carbamoyl]pentyl]-1-[7-(2-amino-2-keto-ethyl)-13-benzyl-20,20-diethyl-16-(4-hydroxybenzyl)-10-isobutyl-6,9,12,15,18-pentaketo-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]pyrrolidine-2-carboxamide Formula: C51H75N11O11S2 MolecularWeight: 1082.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(=O)N)CC(=O)N)CC(C)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)CC

Isomeric SMILES

CCC1(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(=O)N)CC(=O)N)CC(C)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)CC

InChI

InChI=1S/C51H75N11O11S2/c1-5-51(6-2)27-43(66)56-36(25-32-17-19-33(63)20-18-32)46(69)59-37(24-31-13-8-7-9-14-31)47(70)58-35(23-30(3)4)45(68)60-38(26-41(53)64)48(71)61-39(29-74-75-51)50(73)62-22-12-16-40(62)49(72)57-34(15-10-11-21-52)44(67)55-28-42(54)65/h7-9,13-14,17-20,30,34-40,63H,5-6,10-12,15-16,21-29,52H2,1-4H3,(H2,53,64)(H2,54,65)(H,55,67)(H,56,66)(H,57,72)(H,58,70)(H,59,69)(H,60,68)(H,61,71)