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

Structural Information

Molecular Formula

C₈₃H₁₂₄N₂₈O₁₉S₂

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)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C83H124N28O19S2/c84-32-4-3-14-54-70(120)105-58(30-31-65(114)115)78(128)111-38-10-19-64(111)77(127)108-60(41-46-23-28-51(113)29-24-46)73(123)104-55(16-7-35-97-81(91)92)69(119)102-57(18-9-37-99-83(94)130)71(121)109-62(75(125)100-53(66(86)116)15-6-34-96-80(89)90)43-131-132-44-63(76(126)107-59(40-45-21-26-50(112)27-22-45)72(122)103-56(68(118)101-54)17-8-36-98-82(93)129)110-74(124)61(106-67(117)52(85)13-5-33-95-79(87)88)42-47-20-25-48-11-1-2-12-49(48)39-47/h1-2,11-12,20-29,39,52-64,112-113H,3-10,13-19,30-38,40-44,84-85H2,(H2,86,116)(H,100,125)(H,101,118)(H,102,119)(H,103,122)(H,104,123)(H,105,120)(H,106,117)(H,107,126)(H,108,127)(H,109,121)(H,110,124)(H,114,115)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H3,93,98,129)(H3,94,99,130)/t52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,64-/m0/s1

InChIKey

WZLGMCMTSWBQCO-XYDKDJNXSA-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-amino-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-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]pentatriacontan-3-yl]propanoic acid

Related CIDs

• CID 16131681