Ac-arg-arg-nal-cys-tyr-arg-lys-dcit-pro-tyr-cit-cit-cys-arg

Structural Information

Molecular Formula

C₉₂H₁₄₁N₃₃O₂₁S₂

SMILES

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCNC(=O)N)CC6=CC=C(C=C6)O)CCCNC(=O)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

InChI

InChI=1S/C92H141N33O21S2/c1-50(126)112-58(17-6-36-105-86(94)95)72(129)114-62(19-8-38-107-88(98)99)76(133)120-68(47-53-25-30-54-14-2-3-15-55(54)44-53)80(137)124-70-49-148-147-48-69(81(138)119-65(85(142)143)23-12-39-108-89(100)101)123-77(134)63(21-10-41-110-91(103)145)115-74(131)61(20-9-40-109-90(102)144)117-79(136)67(46-52-28-33-57(128)34-29-52)122-83(140)71-24-13-43-125(71)84(141)64(22-11-42-111-92(104)146)118-75(132)59(16-4-5-35-93)113-73(130)60(18-7-37-106-87(96)97)116-78(135)66(121-82(70)139)45-51-26-31-56(127)32-27-51/h2-3,14-15,25-34,44,58-71,127-128H,4-13,16-24,35-43,45-49,93H2,1H3,(H,112,126)(H,113,130)(H,114,129)(H,115,131)(H,116,135)(H,117,136)(H,118,132)(H,119,138)(H,120,133)(H,121,139)(H,122,140)(H,123,134)(H,124,137)(H,142,143)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H3,102,109,144)(H3,103,110,145)(H3,104,111,146)/t58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,71-/m0/s1

InChIKey

LHYACHLNZCGSNI-BLXOJAEQSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6-(4-aminobutyl)-9-(3-carbamimidamidopropyl)-3,23,26-tris[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 16131729