Chemical Identifiers |
- Formula
- C67H90N14O16S2
- IUPAC Name
(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-19,31-bis(4-aminobutyl)-25,28-dibenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
- Canonical SMILES
-
C[C@H]([C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[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)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CCCCN)N)C(=O)O)CO)[C@@H](C)O)CC6=CC=C(C=C6)O)O
- InChI
-
InChI=1S/C67H90N14O16S2/c1-37(83)55-65(94)77-51(31-41-23-25-43(85)26-24-41)63(92)81-56(38(2)84)66(95)78-53(34-82)64(93)79-54(67(96)97)36-99-98-35-45(70)57(86)72-47(21-11-13-27-68)58(87)74-49(29-39-15-5-3-6-16-39)60(89)75-50(30-40-17-7-4-8-18-40)61(90)76-52(32-42-33-71-46-20-10-9-19-44(42)46)62(91)73-48(59(88)80-55)22-12-14-28-69/h3-10,15-20,23-26,33,37-38,45,47-56,71,82-85H,11-14,21-22,27-32,34-36,68-70H2,1-2H3,(H,72,86)(H,73,91)(H,74,87)(H,75,89)(H,76,90)(H,77,94)(H,78,95)(H,79,93)(H,80,88)(H,81,92)(H,96,97)/t37-,38-,45-,47-,48+,49-,50+,51+,52+,53+,54+,55-,56-/m1/s1
- InChIKey
-
NIVBKEGMFSFLSD-KGVPGVLISA-N
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