H-arg-arg-nal-cys-tyr-cit-lys-dlys-pro-tyr-cit-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₉₀H₁₄₀N₃₂O₁₉S₂

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

InChI

InChI=1S/C90H140N32O19S2/c91-35-5-3-17-59-75(129)116-64(18-4-6-36-92)84(138)122-43-13-24-70(122)83(137)119-66(46-51-28-33-56(124)34-29-51)79(133)115-62(22-11-41-108-89(102)140)74(128)113-63(23-12-42-109-90(103)141)77(131)120-68(81(135)110-58(71(94)125)19-8-38-105-86(97)98)48-142-143-49-69(82(136)118-65(45-50-26-31-55(123)32-27-50)78(132)114-61(73(127)112-59)21-10-40-107-88(101)139)121-80(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)117-76(130)60(20-9-39-106-87(99)100)111-72(126)57(93)16-7-37-104-85(95)96/h1-2,14-15,25-34,44,57-70,123-124H,3-13,16-24,35-43,45-49,91-93H2,(H2,94,125)(H,110,135)(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,134)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,139)(H3,102,108,140)(H3,103,109,141)/t57-,58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-/m0/s1

InChIKey

HPFRJRRRADBVQE-OIHVMPBRSA-N

Compound name

(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-9,23,26-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-carboxamide

Related CIDs

• CID 16130653