Nh2-r-r-w-c-y-r-k-.epsilon.-n-acetyl-d(k)-p-y-r-k-c-r-nh2

Structural Information

Molecular Formula

C₉₀H₁₄₄N₃₄O₁₇S₂

SMILES

CC(=O)NCCCC[C@@H]1C(=O)N2CCC[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)N1)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)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)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C90H144N34O17S2/c1-50(125)105-37-9-6-21-65-85(141)124-43-15-26-71(124)84(140)121-67(45-52-29-33-55(127)34-30-52)80(136)117-64(25-14-42-110-90(103)104)75(131)115-61(20-5-8-36-92)78(134)122-69(82(138)112-59(72(94)128)22-11-39-107-87(97)98)48-142-143-49-70(83(139)119-66(44-51-27-31-54(126)32-28-51)79(135)116-63(24-13-41-109-89(101)102)74(130)114-60(76(132)118-65)19-4-7-35-91)123-81(137)68(46-53-47-111-58-18-3-2-16-56(53)58)120-77(133)62(23-12-40-108-88(99)100)113-73(129)57(93)17-10-38-106-86(95)96/h2-3,16,18,27-34,47,57,59-71,111,126-127H,4-15,17,19-26,35-46,48-49,91-93H2,1H3,(H2,94,128)(H,105,125)(H,112,138)(H,113,129)(H,114,130)(H,115,131)(H,116,135)(H,117,136)(H,118,132)(H,119,139)(H,120,133)(H,121,140)(H,122,134)(H,123,137)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)/t57-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-/m0/s1

InChIKey

LDITTWFEXFEOEX-FKGUKYNLSA-N

Compound name

(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3-(4-acetamidobutyl)-6,23-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-(1H-indol-3-yl)propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-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 16130457