Chemical Identifiers |
- Formula
- C76H97N13O15S2
- IUPAC Name
(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-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)CC2=CC=C(C=C2)CNC(C)C)CC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)N)C(=O)O)CO)[C@@H](C)O)CC7=CC=CC=C7)O
- InChI
-
InChI=1S/C76H97N13O15S2/c1-44(2)79-40-51-29-27-50(28-30-51)38-59-71(98)88-64(45(3)91)74(101)85-60(37-49-22-12-7-13-23-49)72(99)89-65(46(4)92)75(102)86-62(41-90)73(100)87-63(76(103)104)43-106-105-42-55(78)66(93)80-56(26-16-17-33-77)67(94)81-57(35-47-18-8-5-9-19-47)68(95)82-58(36-48-20-10-6-11-21-48)69(96)84-61(70(97)83-59)39-52-31-32-53-24-14-15-25-54(53)34-52/h5-15,18-25,27-32,34,44-46,55-65,79,90-92H,16-17,26,33,35-43,77-78H2,1-4H3,(H,80,93)(H,81,94)(H,82,95)(H,83,97)(H,84,96)(H,85,101)(H,86,102)(H,87,100)(H,88,98)(H,89,99)(H,103,104)/t45-,46-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-/m1/s1
- InChIKey
-
VQFBJGSUDSOXIC-MKQNODHSSA-N
|