Imp-321

Structural Information

Molecular Formula

C₅₆H₇₈N₁₈O₁₄S

SMILES

C1=CC(=CC=C1C[C@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN(C(=O)CNC(=O)CCC(=O)NCCC2=CN=CN2)C(=O)CNC(=O)CCC(=O)NCCC3=CN=CN3)C(=O)N)NC(=O)C4=CC=C(C=C4)NC(=S)NN)O

InChI

InChI=1S/C56H78N18O14S/c57-23-3-1-6-41(70-55(88)43(27-34-7-13-39(75)14-8-34)72-52(85)35-9-11-36(12-10-35)68-56(89)73-59)53(86)71-42(15-20-50(82)83)54(87)69-40(51(58)84)5-2-4-26-74(48(80)30-64-46(78)18-16-44(76)62-24-21-37-28-60-32-66-37)49(81)31-65-47(79)19-17-45(77)63-25-22-38-29-61-33-67-38/h7-14,28-29,32-33,40-43,75H,1-6,15-27,30-31,57,59H2,(H2,58,84)(H,60,66)(H,61,67)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,69,87)(H,70,88)(H,71,86)(H,72,85)(H,82,83)(H2,68,73,89)/t40-,41-,42-,43-/m1/s1

InChIKey

ONKCBKDTKZIWHZ-MRWFHJSOSA-N

Compound name

(4R)-4-[[(2R)-6-amino-2-[[(2R)-2-[[4-(aminocarbamothioylamino)benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-amino-6-[bis[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 72941955