(4s)-4-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-5-[[(1s)-1-[[(1s)-2-[[5-[[(1s)-2-[[(1s,2s)-1-carbamoyl-2-methyl-butyl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentyl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₅₅H₆₇N₁₁O₁₂

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCCCNC(=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)NC(=O)C

InChI

InChI=1S/C55H67N11O12/c1-4-30(2)49(50(56)73)66-55(78)44(25-34-29-60-40-18-10-7-15-37(34)40)62-46(68)19-11-12-22-57-51(74)42(23-32-27-58-38-16-8-5-13-35(32)38)64-54(77)45(26-48(71)72)65-52(75)41(20-21-47(69)70)63-53(76)43(61-31(3)67)24-33-28-59-39-17-9-6-14-36(33)39/h5-10,13-18,27-30,41-45,49,58-60H,4,11-12,19-26H2,1-3H3,(H2,56,73)(H,57,74)(H,61,67)(H,62,68)(H,63,76)(H,64,77)(H,65,75)(H,66,78)(H,69,70)(H,71,72)/t30-,41-,42-,43-,44-,45-,49-/m0/s1

InChIKey

YNQGDPJIFMUUFT-PUHQCXJOSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[5-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 15958587