3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-15-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methyl]-21-(2-azanyl-2-oxidanylidene-ethyl)-9-(3-azanylpropyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decakis(oxidanylidene)-3,24,27-tris(phenylmethyl)-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide

Systemtic Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-15-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methyl]-21-(2-azanyl-2-oxidanylidene-ethyl)-9-(3-azanylpropyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decakis(oxidanylidene)-3,24,27-tris(phenylmethyl)-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide Openeye Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-15-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]triazol-4-yl]methyl]-21-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-6-isobutyl-12-isopropyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide CAS Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-15-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-4-triazolyl]methyl]-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-3,24,27-tris(phenylmethyl)-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide IUPAC Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-15-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl]-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide Traditional Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-15-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]triazol-4-yl]methyl]-21-(2-amino-2-keto-ethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-6-isobutyl-12-isopropyl-2,5,8,11,14,17,20,23,26,29-decaketo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propionamide Formula: C70H97N17O17 MolecularWeight: 1448.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CN(N=N3)C4C(C(C(C(O4)CO)O)O)NC(=O)C)CCC(=O)N)CC(=O)N)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CN(N=N3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)CCC(=O)N)CC(=O)N)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C70H97N17O17/c1-37(2)29-46-62(96)82-51(32-42-21-13-8-14-22-42)69(103)86-28-16-24-52(86)67(101)81-48(31-41-19-11-7-12-20-41)64(98)78-47(30-40-17-9-6-10-18-40)63(97)80-50(34-55(73)91)65(99)75-45(25-26-54(72)90)61(95)79-49(66(100)83-56(38(3)4)68(102)76-44(23-15-27-71)60(94)77-46)33-43-35-87(85-84-43)70-57(74-39(5)89)59(93)58(92)53(36-88)104-70/h6-14,17-22,35,37-38,44-53,56-59,70,88,92-93H,15-16,23-34,36,71H2,1-5H3,(H2,72,90)(H2,73,91)(H,74,89)(H,75,99)(H,76,102)(H,77,94)(H,78,98)(H,79,95)(H,80,97)(H,81,101)(H,82,96)(H,83,100)/t44-,45-,46-,47+,48-,49-,50-,51+,52-,53+,56-,57+,58+,59+,70+/m0/s1