Arg-arg-nal-cys-tyr-cit-lys-dglu-pro-tyr-arg-glu-cys-arg-nh2

Structural Information

Molecular Formula

C₈₈H₁₃₂N₃₀O₂₁S₂

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)CCC(=O)O)CCCCN)CCCNC(=O)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)N)CCC(=O)O)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C88H132N30O21S2/c89-34-4-3-14-56-74(129)112-61(31-33-69(123)124)83(138)118-40-10-19-67(118)82(137)115-63(43-48-23-28-53(120)29-24-48)78(133)110-58(17-8-38-104-87(98)99)73(128)111-60(30-32-68(121)122)76(131)116-65(80(135)106-55(70(91)125)15-6-36-102-85(94)95)45-140-141-46-66(81(136)114-62(42-47-21-26-52(119)27-22-47)77(132)109-59(72(127)108-56)18-9-39-105-88(100)139)117-79(134)64(44-49-20-25-50-11-1-2-12-51(50)41-49)113-75(130)57(16-7-37-103-86(96)97)107-71(126)54(90)13-5-35-101-84(92)93/h1-2,11-12,20-29,41,54-67,119-120H,3-10,13-19,30-40,42-46,89-90H2,(H2,91,125)(H,106,135)(H,107,126)(H,108,127)(H,109,132)(H,110,133)(H,111,128)(H,112,129)(H,113,130)(H,114,136)(H,115,137)(H,116,131)(H,117,134)(H,121,122)(H,123,124)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H3,100,105,139)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey

QNXSXUYNUDZASK-UXQLLFHVSA-N

Compound name

3-[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-20-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)propyl]-3-(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]pentatriacontan-23-yl]propanoic acid

Related CIDs

• CID 16131717