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

Structural Information

Molecular Formula

C₅₁H₆₇N₉O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C51H67N9O13/c1-6-30(4)44(45(52)67)60-49(71)37(25-33-18-12-8-13-19-33)55-40(62)28-53-51(73)43(29(2)3)59-50(72)38(26-34-20-14-9-15-21-34)57-48(70)39(27-42(65)66)58-46(68)35(22-23-41(63)64)56-47(69)36(54-31(5)61)24-32-16-10-7-11-17-32/h7-21,29-30,35-39,43-44H,6,22-28H2,1-5H3,(H2,52,67)(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)/t30-,35-,36-,37-,38-,39-,43-,44-/m0/s1

InChIKey

XDELFQSDOJZVPM-PIIVJJCVSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]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-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 15958593