Ac-nal1-glu-asp-nal1-val-gly-nal1-ile-nh2

Structural Information

Molecular Formula

C₆₃H₇₃N₉O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=CC6=CC=CC=C65)NC(=O)C

InChI

InChI=1S/C63H73N9O13/c1-6-36(4)56(57(64)79)72-61(83)49(31-42-23-14-20-39-17-8-11-26-45(39)42)67-52(74)34-65-63(85)55(35(2)3)71-62(84)50(32-43-24-15-21-40-18-9-12-27-46(40)43)69-60(82)51(33-54(77)78)70-58(80)47(28-29-53(75)76)68-59(81)48(66-37(5)73)30-41-22-13-19-38-16-7-10-25-44(38)41/h7-27,35-36,47-51,55-56H,6,28-34H2,1-5H3,(H2,64,79)(H,65,85)(H,66,73)(H,67,74)(H,68,81)(H,69,82)(H,70,80)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t36-,47-,48-,49-,50-,51-,55-,56-/m0/s1

InChIKey

KIIPLRCCPNXNKI-SJFHVGSOSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186178