3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-[[1-[[(2R,3S,4R,5R,6R)-5-azanyl-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl]-1,2,3-triazol-4-yl]methyl]-9-(3-azanylpropyl)-15-[(4-hydroxyphenyl)methyl]-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)-21-[[1-[[(2R,3S,4R,5R,6R)-5-azanyl-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl]-1,2,3-triazol-4-yl]methyl]-9-(3-azanylpropyl)-15-[(4-hydroxyphenyl)methyl]-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)-21-[[1-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]triazol-4-yl]methyl]-9-(3-aminopropyl)-3,24,27-tribenzyl-15-[(4-hydroxyphenyl)methyl]-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)-21-[[1-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxy-2-oxanyl]methyl]-4-triazolyl]methyl]-9-(3-aminopropyl)-15-[(4-hydroxyphenyl)methyl]-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)-21-[[1-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]triazol-4-yl]methyl]-9-(3-aminopropyl)-3,24,27-tribenzyl-15-[(4-hydroxyphenyl)methyl]-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)-21-[[1-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]triazol-4-yl]methyl]-9-(3-aminopropyl)-3,24,27-tribenzyl-15-(4-hydroxybenzyl)-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: C74H100N16O16 MolecularWeight: 1469.6834

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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=CC=C(C=C3)O)CCC(=O)N)CC4=CN(N=N4)CC5C(C(C(C(O5)OC)N)O)O)CC6=CC=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8

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=CC=C(C=C3)O)CCC(=O)N)CC4=CN(N=N4)C[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC)N)O)O)CC6=CC=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8

InChI

InChI=1S/C74H100N16O16/c1-41(2)33-51-66(97)85-56(37-45-21-13-8-14-22-45)73(104)90-32-16-24-57(90)71(102)84-53(35-44-19-11-7-12-20-44)68(99)82-52(34-43-17-9-6-10-18-43)67(98)83-55(38-47-39-89(88-87-47)40-58-62(93)63(94)60(77)74(105-5)106-58)69(100)78-50(29-30-59(76)92)65(96)81-54(36-46-25-27-48(91)28-26-46)70(101)86-61(42(3)4)72(103)79-49(23-15-31-75)64(95)80-51/h6-14,17-22,25-28,39,41-42,49-58,60-63,74,91,93-94H,15-16,23-24,29-38,40,75,77H2,1-5H3,(H2,76,92)(H,78,100)(H,79,103)(H,80,95)(H,81,96)(H,82,99)(H,83,98)(H,84,102)(H,85,97)(H,86,101)/t49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,60+,61-,62+,63+,74+/m0/s1