Nh2-rggrlaycrrrfcvavgr-nh2

Structural Information

Molecular Formula

C₈₈H₁₄₉N₃₇O₁₉S₂

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N)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

InChI

InChI=1S/C88H149N37O19S2/c1-44(2)36-58(120-72(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)76(138)112-47(7)69(131)119-59(38-50-26-28-51(126)29-27-50)77(139)122-61-42-145-146-43-62(80(142)125-67(46(5)6)82(144)113-48(8)70(132)124-66(45(3)4)81(143)111-41-65(129)114-53(68(90)130)21-13-31-104-84(93)94)123-78(140)60(37-49-18-10-9-11-19-49)121-75(137)57(25-17-35-108-88(101)102)117-73(135)55(23-15-33-106-86(97)98)116-74(136)56(118-79(61)141)24-16-34-107-87(99)100/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,112,138)(H,113,144)(H,114,129)(H,115,128)(H,116,136)(H,117,135)(H,118,141)(H,119,131)(H,120,134)(H,121,137)(H,122,139)(H,123,140)(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

MIHCWMBWEYYYBE-OQPOEJKTSA-N

Compound name

(4R,7S,10S,13S,16S,19R)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-19-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-10,13,16-tris(3-carbamimidamidopropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Related CIDs

• CID 16130833