H-trp-arg-arg-cys(x1)-tyr-arg-lys-d-lys-pro-tyr-arg-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₈₈H₁₄₀N₃₄O₁₈S₂

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(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C88H140N34O18S2/c89-33-5-3-16-56-73(129)116-62(17-4-6-34-90)81(137)122-41-13-24-68(122)80(136)119-65(43-49-27-31-52(124)32-28-49)77(133)115-59(20-9-37-105-85(96)97)72(128)113-61(22-11-40-108-88(102)140)75(131)120-66(78(134)117-63(82(138)139)23-12-39-107-87(100)101)46-141-142-47-67(79(135)118-64(42-48-25-29-51(123)30-26-48)76(132)114-58(71(127)111-56)19-8-36-104-84(94)95)121-74(130)60(21-10-38-106-86(98)99)112-70(126)57(18-7-35-103-83(92)93)110-69(125)54(91)44-50-45-109-55-15-2-1-14-53(50)55/h1-2,14-15,25-32,45,54,56-68,109,123-124H,3-13,16-24,33-44,46-47,89-91H2,(H,110,125)(H,111,127)(H,112,126)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,134)(H,118,135)(H,119,136)(H,120,131)(H,121,130)(H,138,139)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)/t54-,56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-/m0/s1

InChIKey

NAWPSQSEVQLENU-XIYHCQKBSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[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 16204788