Nh2-nal-cys(x1)-tyr-arg-lys-d-lys-pro-tyr-arg-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₇₈H₁₁₇N₂₅O₁₆S₂

SMILES

C1C[C@H]2C(=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)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C78H117N25O16S2/c79-31-5-3-14-52-66(109)97-56(15-4-6-32-80)73(116)103-37-11-20-62(103)72(115)100-59(41-45-24-29-50(105)30-25-45)69(112)96-54(17-8-34-90-76(84)85)65(108)94-55(18-9-36-92-78(88)119)67(110)102-61(70(113)98-57(74(117)118)19-10-35-91-77(86)87)43-121-120-42-60(101-63(106)51(81)39-46-21-26-47-12-1-2-13-48(47)38-46)71(114)99-58(40-44-22-27-49(104)28-23-44)68(111)95-53(64(107)93-52)16-7-33-89-75(82)83/h1-2,12-13,21-30,38,51-62,104-105H,3-11,14-20,31-37,39-43,79-81H2,(H,93,107)(H,94,108)(H,95,111)(H,96,112)(H,97,109)(H,98,113)(H,99,114)(H,100,115)(H,101,106)(H,102,110)(H,117,118)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)(H3,88,92,119)/t51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-/m0/s1

InChIKey

FBONWNNGGZBUDA-VSBRTOISSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204799