(4s)-5-[[(1s)-3-amino-1-[[(1s,2s)-1-[(2s,4s)-2-[[(1s)-2-[[(1s)-5-amino-1-carbamoyl-pentyl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-(4-phenethyltriazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-4-[[(2s,3s)-2-amino-3-methyl-pentanoyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₅₃H₇₆N₁₄O₁₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N)N4C=C(N=N4)CCC5=CC=CC=C5)N

InChI

InChI=1S/C53H76N14O10/c1-5-30(3)45(56)52(76)60-39(21-22-44(69)70)48(72)61-41(26-43(55)68)50(74)63-46(31(4)6-2)53(77)66-29-35(67-28-34(64-65-67)20-19-32-14-8-7-9-15-32)25-42(66)51(75)62-40(24-33-27-58-37-17-11-10-16-36(33)37)49(73)59-38(47(57)71)18-12-13-23-54/h7-11,14-17,27-28,30-31,35,38-42,45-46,58H,5-6,12-13,18-26,29,54,56H2,1-4H3,(H2,55,68)(H2,57,71)(H,59,73)(H,60,76)(H,61,72)(H,62,75)(H,63,74)(H,69,70)/t30-,31-,35-,38-,39-,40-,41-,42-,45-,46-/m0/s1

InChIKey

QCZRQOBBOPKZCK-MXAAXPNYSA-N

Compound name

(4S)-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[(2S,4S)-2-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-4-[4-(2-phenylethyl)triazol-1-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 129907361