N-[4-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-17-(4-acetamidobutyl)-14,29-bis[3-[bis(azanyl)methylideneamino]propyl]-11,26-bis[(4-hydroxyphenyl)methyl]-4,5,19,20-tetramethyl-3,6,9,12,15,18,21,24,27,30-decakis(oxidanylidene)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]ethanamide

Systemtic Name: N-[4-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-17-(4-acetamidobutyl)-14,29-bis[3-[bis(azanyl)methylideneamino]propyl]-11,26-bis[(4-hydroxyphenyl)methyl]-4,5,19,20-tetramethyl-3,6,9,12,15,18,21,24,27,30-decakis(oxidanylidene)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]ethanamide Openeye Name: N-[4-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-17-(4-acetamidobutyl)-14,29-bis(3-guanidinopropyl)-11,26-bis[(4-hydroxyphenyl)methyl]-8,23-diisopropyl-4,5,19,20-tetramethyl-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]acetamide CAS Name: N-[4-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-17-(4-acetamidobutyl)-14,29-bis[3-(diaminomethylideneamino)propyl]-11,26-bis[(4-hydroxyphenyl)methyl]-4,5,19,20-tetramethyl-3,6,9,12,15,18,21,24,27,30-decaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]acetamide IUPAC Name: N-[4-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-17-(4-acetamidobutyl)-14,29-bis[3-(diaminomethylideneamino)propyl]-11,26-bis[(4-hydroxyphenyl)methyl]-4,5,19,20-tetramethyl-3,6,9,12,15,18,21,24,27,30-decaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]acetamide Traditional Name: N-[4-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-17-(4-acetamidobutyl)-14,29-bis(3-guanidinopropyl)-11,26-bis(4-hydroxybenzyl)-8,23-diisopropyl-3,6,9,12,15,18,21,24,27,30-decaketo-4,5,19,20-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]acetamide Formula: C64H102N18O14 MolecularWeight: 1347.60688

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CCCCNC(=O)C)CCCN=C(N)N)CC2=CC=C(C=C2)O)C(C)C)C)C)CCCCNC(=O)C)CCCN=C(N)N)CC3=CC=C(C=C3)O)C(C)C

Isomeric SMILES

C[C@H]1C(=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)N[C@H](C(=O)N[C@H](C(=O)N1C)CCCCNC(=O)C)CCCN=C(N)N)CC2=CC=C(C=C2)O)C(C)C)C)C)CCCCNC(=O)C)CCCN=C(N)N)CC3=CC=C(C=C3)O)C(C)C

InChI

InChI=1S/C64H102N18O14/c1-35(2)51-59(93)77-49(33-41-21-25-43(85)26-22-41)57(91)73-45(19-15-31-71-63(65)66)55(89)76-48(18-12-14-30-70-40(8)84)62(96)82(10)38(6)54(88)80-52(36(3)4)60(94)78-50(34-42-23-27-44(86)28-24-42)58(92)74-46(20-16-32-72-64(67)68)56(90)75-47(17-11-13-29-69-39(7)83)61(95)81(9)37(5)53(87)79-51/h21-28,35-38,45-52,85-86H,11-20,29-34H2,1-10H3,(H,69,83)(H,70,84)(H,73,91)(H,74,92)(H,75,90)(H,76,89)(H,77,93)(H,78,94)(H,79,87)(H,80,88)(H4,65,66,71)(H4,67,68,72)/t37-,38-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1