Nh2-rggrlcyarrrfavcvgr-nh2

Structural Information

Molecular Formula

C₈₈H₁₄₉N₃₇O₁₉S₂

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=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)N1)CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N)C(C)C)C)CC3=CC=CC=C3)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N

InChI

InChI=1S/C88H149N37O19S2/c1-44(2)36-58(119-72(134)54(22-14-32-105-85(95)96)115-64(128)40-109-63(127)39-110-71(133)52(89)20-12-30-103-83(91)92)78(140)122-61-42-145-146-43-62(80(142)125-66(45(3)4)81(143)111-41-65(129)114-53(68(90)130)21-13-31-104-84(93)94)123-82(144)67(46(5)6)124-70(132)48(8)113-76(138)59(37-49-18-10-9-11-19-49)120-75(137)57(25-17-35-108-88(101)102)118-74(136)56(24-16-34-107-87(99)100)117-73(135)55(23-15-33-106-86(97)98)116-69(131)47(7)112-77(139)60(121-79(61)141)38-50-26-28-51(126)29-27-50/h9-11,18-19,26-29,44-48,52-62,66-67,126H,12-17,20-25,30-43,89H2,1-8H3,(H2,90,130)(H,109,127)(H,110,133)(H,111,143)(H,112,139)(H,113,138)(H,114,129)(H,115,128)(H,116,131)(H,117,135)(H,118,136)(H,119,134)(H,120,137)(H,121,141)(H,122,140)(H,123,144)(H,124,132)(H,125,142)(H4,91,92,103)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)/t47-,48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-/m0/s1

InChIKey

CIILEMXEFAWLMQ-OQPOEJKTSA-N

Compound name

(4R,7S,10S,13S,16S,19S,22S,25S,28S,31R)-N-[(2S)-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-31-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-13-benzyl-16,19,22-tris(3-carbamimidamidopropyl)-28-[(4-hydroxyphenyl)methyl]-10,25-dimethyl-6,9,12,15,18,21,24,27,30-nonaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxamide

Related CIDs

• CID 16130834