Chembl407494

Structural Information

Molecular Formula

C₅₇H₇₀N₁₂O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)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)NC(=O)C

InChI

InChI=1S/C57H70N12O13/c1-6-30(4)50(51(58)76)69-55(80)43(22-33-26-60-39-17-11-8-14-36(33)39)64-46(71)28-62-57(82)49(29(2)3)68-56(81)44(23-34-27-61-40-18-12-9-15-37(34)40)66-54(79)45(24-48(74)75)67-52(77)41(19-20-47(72)73)65-53(78)42(63-31(5)70)21-32-25-59-38-16-10-7-13-35(32)38/h7-18,25-27,29-30,41-45,49-50,59-61H,6,19-24,28H2,1-5H3,(H2,58,76)(H,62,82)(H,63,70)(H,64,71)(H,65,78)(H,66,79)(H,67,77)(H,68,81)(H,69,80)(H,72,73)(H,74,75)/t30-,41-,42-,43-,44-,45-,49-,50-/m0/s1

InChIKey

NLGKJUBVNHEXMQ-RUCOTIPMSA-N

Compound name

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

Related CIDs

• CID 15958477