Arg-arg-nal-cys-tyr-arg-glu-dlys-pro-tyr-arg-cit-cys-arg

Structural Information

Molecular Formula

C₈₉H₁₃₆N₃₂O₂₀S₂

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)CCC(=O)O)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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/C89H136N32O20S2/c90-34-4-3-15-61-82(138)121-41-11-21-68(121)81(137)118-64(44-49-25-30-54(123)31-26-49)77(133)112-57(17-7-37-105-86(96)97)71(127)110-59(19-9-40-108-89(102)141)74(130)119-66(79(135)115-62(83(139)140)20-10-39-107-88(100)101)46-142-143-47-67(80(136)117-63(43-48-23-28-53(122)29-24-48)76(132)111-58(18-8-38-106-87(98)99)72(128)113-60(75(131)114-61)32-33-69(124)125)120-78(134)65(45-50-22-27-51-12-1-2-13-52(51)42-50)116-73(129)56(16-6-36-104-85(94)95)109-70(126)55(91)14-5-35-103-84(92)93/h1-2,12-13,22-31,42,55-68,122-123H,3-11,14-21,32-41,43-47,90-91H2,(H,109,126)(H,110,127)(H,111,132)(H,112,133)(H,113,128)(H,114,131)(H,115,135)(H,116,129)(H,117,136)(H,118,137)(H,119,130)(H,120,134)(H,124,125)(H,139,140)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,141)/t55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1

InChIKey

XCDLTNPXGNVOHK-LJCDHCGGSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3-(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-6-(2-carboxyethyl)-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 16131706