(4s)-4-[[(2s)-2-acetamido-3-(2-pyridyl)propanoyl]amino]-5-[[(1s)-1-[[(1s)-2-[[(1s)-1-[[2-[[(1s)-2-[[(1s,2s)-1-carbamoyl-2-methyl-butyl]amino]-2-oxo-1-(2-pyridylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-1-(2-pyridylmethyl)ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₄₈H₆₄N₁₂O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=N1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=N2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=N3)NC(=O)C

InChI

InChI=1S/C48H64N12O13/c1-6-27(4)41(42(49)67)60-46(71)34(22-30-14-8-11-19-51-30)55-37(62)25-53-48(73)40(26(2)3)59-47(72)35(23-31-15-9-12-20-52-31)57-45(70)36(24-39(65)66)58-43(68)32(16-17-38(63)64)56-44(69)33(54-28(5)61)21-29-13-7-10-18-50-29/h7-15,18-20,26-27,32-36,40-41H,6,16-17,21-25H2,1-5H3,(H2,49,67)(H,53,73)(H,54,61)(H,55,62)(H,56,69)(H,57,70)(H,58,68)(H,59,72)(H,60,71)(H,63,64)(H,65,66)/t27-,32-,33-,34-,35-,36-,40-,41-/m0/s1

InChIKey

HTBFMJIGAFVNKT-GVYKRAFKSA-N

Compound name

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

Related CIDs

• CID 15958595