Ac-arg-arg-nal-cys-tyr-arg-lys-dcit-pro-tyr-arg-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₉₂H₁₄₃N₃₅O₁₉S₂

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(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C92H143N35O19S2/c1-50(128)114-59(18-7-37-108-87(97)98)73(132)117-63(21-10-40-111-90(103)104)77(136)122-68(47-53-25-30-54-14-2-3-15-55(54)44-53)81(140)126-70-49-148-147-48-69(82(141)115-58(72(94)131)17-6-36-107-86(95)96)125-78(137)64(22-11-41-112-91(105)145)118-75(134)62(20-9-39-110-89(101)102)120-80(139)67(46-52-28-33-57(130)34-29-52)124-84(143)71-24-13-43-127(71)85(144)65(23-12-42-113-92(106)146)121-76(135)60(16-4-5-35-93)116-74(133)61(19-8-38-109-88(99)100)119-79(138)66(123-83(70)142)45-51-26-31-56(129)32-27-51/h2-3,14-15,25-34,44,58-71,129-130H,4-13,16-24,35-43,45-49,93H2,1H3,(H2,94,131)(H,114,128)(H,115,141)(H,116,133)(H,117,132)(H,118,134)(H,119,138)(H,120,139)(H,121,135)(H,122,136)(H,123,142)(H,124,143)(H,125,137)(H,126,140)(H4,95,96,107)(H4,97,98,108)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H3,105,112,145)(H3,106,113,146)/t58-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-/m0/s1

InChIKey

BEMAJACPQQXHTC-CJUUBJSMSA-N

Compound name

(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)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-9,26-bis(3-carbamimidamidopropyl)-3,23-bis[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-carboxamide

Related CIDs

• CID 16131721