Nh2-rggrlcycrrrfcvc-nh2

Structural Information

Molecular Formula

C₇₅H₁₂₃N₃₁O₁₆S₄

SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)CC4=CC=C(C=C4)O)C(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C75H123N31O16S4/c1-38(2)29-48(99-60(112)44(16-9-25-89-72(80)81)95-56(109)33-93-55(108)32-94-59(111)43(76)15-8-24-88-71(78)79)64(116)103-53-36-124-123-34-51(58(77)110)102-70(122)57(39(3)4)106-69(121)54-37-126-125-35-52(104-66(118)50(101-68(53)120)31-41-20-22-42(107)23-21-41)67(119)98-46(18-11-27-91-74(84)85)62(114)96-45(17-10-26-90-73(82)83)61(113)97-47(19-12-28-92-75(86)87)63(115)100-49(65(117)105-54)30-40-13-6-5-7-14-40/h5-7,13-14,20-23,38-39,43-54,57,107H,8-12,15-19,24-37,76H2,1-4H3,(H2,77,110)(H,93,108)(H,94,111)(H,95,109)(H,96,114)(H,97,113)(H,98,119)(H,99,112)(H,100,115)(H,101,120)(H,102,122)(H,103,116)(H,104,118)(H,105,117)(H,106,121)(H4,78,79,88)(H4,80,81,89)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1

InChIKey

PXIQXPXYLIPVFO-FBGMWXPCSA-N

Compound name

(1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-7-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-21-benzyl-24,27,30-tris(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-3,6,14,17,20,23,26,29,32-nonaoxo-15-propan-2-yl-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide

Related CIDs

• CID 16130836