Nh2-trp-glu-asp-trp-val-gly-trp-ala-cooh

Structural Information

Molecular Formula

C₅₂H₆₁N₁₁O₁₃

SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C52H61N11O13/c1-26(2)45(51(74)57-25-42(64)59-39(48(71)58-27(3)52(75)76)19-29-23-55-36-14-8-5-11-32(29)36)63-50(73)40(20-30-24-56-37-15-9-6-12-33(30)37)61-49(72)41(21-44(67)68)62-47(70)38(16-17-43(65)66)60-46(69)34(53)18-28-22-54-35-13-7-4-10-31(28)35/h4-15,22-24,26-27,34,38-41,45,54-56H,16-21,25,53H2,1-3H3,(H,57,74)(H,58,71)(H,59,64)(H,60,69)(H,61,72)(H,62,70)(H,63,73)(H,65,66)(H,67,68)(H,75,76)/t27-,34-,38-,39-,40-,41-,45-/m0/s1

InChIKey

CKURFKBGLAGPKM-JXCURUGXSA-N

Compound name

(4S)-4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 514224