(6S,13S,14R,17S)-17-azanyl-21-[(4-methoxyphenyl)methyl]-6-methyl-13-oxidanyl-3,8,14-tri(propan-2-yl)-1,4,10,15,19,22-hexazabicyclo[22.3.0]heptacosane-2,5,7,11,16,20,23-heptone

Systemtic Name: (6S,13S,14R,17S)-17-azanyl-21-[(4-methoxyphenyl)methyl]-6-methyl-13-oxidanyl-3,8,14-tri(propan-2-yl)-1,4,10,15,19,22-hexazabicyclo[22.3.0]heptacosane-2,5,7,11,16,20,23-heptone Openeye Name: (6S,13S,14R,17S)-17-amino-13-hydroxy-3,8,14-triisopropyl-21-[(4-methoxyphenyl)methyl]-6-methyl-1,4,10,15,19,22-hexazabicyclo[22.3.0]heptacosane-2,5,7,11,16,20,23-heptone CAS Name: (6S,13S,14R,17S)-17-amino-13-hydroxy-21-[(4-methoxyphenyl)methyl]-6-methyl-3,8,14-tri(propan-2-yl)-1,4,10,15,19,22-hexazabicyclo[22.3.0]heptacosane-2,5,7,11,16,20,23-heptone IUPAC Name: (6S,13S,14R,17S)-17-amino-13-hydroxy-21-[(4-methoxyphenyl)methyl]-6-methyl-3,8,14-tri(propan-2-yl)-1,4,10,15,19,22-hexazabicyclo[22.3.0]heptacosane-2,5,7,11,16,20,23-heptone Traditional Name: (6S,13S,14R,17S)-17-amino-13-hydroxy-3,8,14-triisopropyl-6-methyl-21-p-anisyl-1,4,10,15,19,22-hexazabicyclo[22.3.0]heptacosane-2,5,7,11,16,20,23-heptone Formula: C39H61N7O9 MolecularWeight: 771.94314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(CNC(=O)CC(C(NC(=O)C(CNC(=O)C(NC(=O)C2CCCN2C(=O)C(NC1=O)C(C)C)CC3=CC=C(C=C3)OC)N)C(C)C)O)C(C)C

Isomeric SMILES

C[C@H]1C(=O)C(CNC(=O)C[C@@H]([C@H](NC(=O)[C@H](CNC(=O)C(NC(=O)C2CCCN2C(=O)C(NC1=O)C(C)C)CC3=CC=C(C=C3)OC)N)C(C)C)O)C(C)C

InChI

InChI=1S/C39H61N7O9/c1-20(2)26-18-41-31(48)17-30(47)32(21(3)4)44-36(51)27(40)19-42-37(52)28(16-24-11-13-25(55-8)14-12-24)43-38(53)29-10-9-15-46(29)39(54)33(22(5)6)45-35(50)23(7)34(26)49/h11-14,20-23,26-30,32-33,47H,9-10,15-19,40H2,1-8H3,(H,41,48)(H,42,52)(H,43,53)(H,44,51)(H,45,50)/t23-,26?,27-,28?,29?,30-,32+,33?/m0/s1