N-[20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3,13-bis(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide

Systemtic Name: N-[20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3,13-bis(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide Openeye Name: N-[12-hydroxy-3,13-diisobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide CAS Name: N-[12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3,13-bis(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide IUPAC Name: N-[12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3,13-bis(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide Traditional Name: N-(12-hydroxy-3,13-diisobutyl-8-isopropyl-2,5,7,10,15,19,22-heptaketo-6,17,21-trimethyl-20-p-anisyl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl)-4-methyl-2-(methylamino)valeramide Formula: C49H78N6O12 MolecularWeight: 943.17662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)O1)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O)CC(C)C)NC(=O)C(CC(C)C)NC

Isomeric SMILES

CC1C(C(=O)NC(C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)O1)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O)CC(C)C)NC(=O)C(CC(C)C)NC

InChI

InChI=1S/C49H78N6O12/c1-26(2)21-34-39(56)25-40(57)67-43(29(7)8)42(58)30(9)44(59)52-36(23-28(5)6)47(62)55-20-14-15-37(55)48(63)54(12)38(24-32-16-18-33(65-13)19-17-32)49(64)66-31(10)41(46(61)51-34)53-45(60)35(50-11)22-27(3)4/h16-19,26-31,34-39,41,43,50,56H,14-15,20-25H2,1-13H3,(H,51,61)(H,52,59)(H,53,60)