(3S,6S,9S,19R,22S)-4,6,12,12,20-pentamethyl-19-(phenylmethyl)-3,9-di(propan-2-yl)-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone

Systemtic Name: (3S,6S,9S,19R,22S)-4,6,12,12,20-pentamethyl-19-(phenylmethyl)-3,9-di(propan-2-yl)-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone Openeye Name: (3S,6S,9S,19R,22S)-19-benzyl-3,9-diisopropyl-4,6,12,12,20-pentamethyl-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone CAS Name: (3S,6S,9S,19R,22S)-4,6,12,12,20-pentamethyl-19-(phenylmethyl)-3,9-di(propan-2-yl)-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone IUPAC Name: (3S,6S,9S,19R,22S)-19-benzyl-4,6,12,12,20-pentamethyl-3,9-di(propan-2-yl)-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone Traditional Name: (3S,6S,9S,19R,22S)-19-benzyl-3,9-diisopropyl-4,6,12,12,20-pentamethyl-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone Formula: C39H59N5O9 MolecularWeight: 741.91386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N(C(C(=O)NCC(=O)O1)CC3=CC=CC=C3)C)C(C)C)C)C)C(C)C)(C)C

Isomeric SMILES

CCCC1C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](C(=O)NCC(=O)O1)CC3=CC=CC=C3)C)C(C)C)C)C)C(C)C)(C)C

InChI

InChI=1S/C39H59N5O9/c1-11-16-29-39(7,8)38(51)53-32(24(4)5)34(47)41-25(6)35(48)43(10)31(23(2)3)37(50)44-20-15-19-27(44)36(49)42(9)28(21-26-17-13-12-14-18-26)33(46)40-22-30(45)52-29/h12-14,17-18,23-25,27-29,31-32H,11,15-16,19-22H2,1-10H3,(H,40,46)(H,41,47)/t25-,27-,28+,29?,31-,32-/m0/s1