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

Structural Information

Molecular Formula

C₉₂H₁₄₈N₃₄O₁₇S₂

SMILES

CCCC(=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/C92H148N34O17S2/c1-2-17-73(129)107-39-10-7-23-66-87(143)126-45-16-28-72(126)86(142)123-68(47-53-31-35-56(128)36-32-53)82(138)119-65(27-15-44-112-92(105)106)77(133)117-62(22-6-9-38-94)80(136)124-70(84(140)114-60(74(96)130)24-12-41-109-89(99)100)50-144-145-51-71(85(141)121-67(46-52-29-33-55(127)34-30-52)81(137)118-64(26-14-43-111-91(103)104)76(132)116-61(78(134)120-66)21-5-8-37-93)125-83(139)69(48-54-49-113-59-20-4-3-18-57(54)59)122-79(135)63(25-13-42-110-90(101)102)115-75(131)58(95)19-11-40-108-88(97)98/h3-4,18,20,29-36,49,58,60-72,113,127-128H,2,5-17,19,21-28,37-48,50-51,93-95H2,1H3,(H2,96,130)(H,107,129)(H,114,140)(H,115,131)(H,116,132)(H,117,133)(H,118,137)(H,119,138)(H,120,134)(H,121,141)(H,122,135)(H,123,142)(H,124,136)(H,125,139)(H4,97,98,108)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)/t58-,60-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

RGGPTLJPJMSUPV-OJDLWILWSA-N

Compound name

(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-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]-3-[4-(butanoylamino)butyl]-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 16130464