N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-16-[(2S)-butan-2-yl]-3,4,7,10,14,17,22,23,27-nonamethyl-6-(2-methylpropyl)-2,5,8,12,15,18,21,24-octakis(oxidanylidene)-19-(phenylmethyl)-13-propan-2-yl-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide

Systemtic Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-16-[(2S)-butan-2-yl]-3,4,7,10,14,17,22,23,27-nonamethyl-6-(2-methylpropyl)-2,5,8,12,15,18,21,24-octakis(oxidanylidene)-19-(phenylmethyl)-13-propan-2-yl-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide Openeye Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-19-benzyl-6-isobutyl-13-isopropyl-3,4,7,10,14,17,22,23,27-nonamethyl-16-[(1S)-1-methylpropyl]-2,5,8,12,15,18,21,24-octaoxo-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide CAS Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-16-[(2S)-butan-2-yl]-3,4,7,10,14,17,22,23,27-nonamethyl-6-(2-methylpropyl)-2,5,8,12,15,18,21,24-octaoxo-19-(phenylmethyl)-13-propan-2-yl-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide IUPAC Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-19-benzyl-16-[(2S)-butan-2-yl]-3,4,7,10,14,17,22,23,27-nonamethyl-6-(2-methylpropyl)-2,5,8,12,15,18,21,24-octaoxo-13-propan-2-yl-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide Traditional Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-19-benzyl-6-isobutyl-13-isopropyl-2,5,8,12,15,18,21,24-octaketo-3,4,7,10,14,17,22,23,27-nonamethyl-16-[(1S)-1-methylpropyl]-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide Formula: C54H80N8O10 MolecularWeight: 1001.2606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(C(=O)OC(C(C(=O)N(C(C(=O)N(C(C(=O)N2CC(CC2C(=O)N(C(C(=O)NC(C(=O)N1C)CC3=CC=CC=C3)C)C)C)C)C)CC(C)C)C)NC(=O)C4=CC=CC=C4)C)C(C)C)C

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)CC3=CC=CC=C3)C)C)C)C)C)CC(C)C)C)NC(=O)C4=CC=CC=C4)C)C(C)C)C

InChI

InChI=1S/C54H80N8O10/c1-16-34(7)45-53(70)60(14)44(32(4)5)54(71)72-37(10)43(56-47(64)39-25-21-18-22-26-39)52(69)59(13)41(27-31(2)3)50(67)58(12)36(9)48(65)62-30-33(6)28-42(62)51(68)57(11)35(8)46(63)55-40(49(66)61(45)15)29-38-23-19-17-20-24-38/h17-26,31-37,40-45H,16,27-30H2,1-15H3,(H,55,63)(H,56,64)/t33-,34+,35+,36+,37-,40+,41+,42+,43+,44+,45+/m1/s1