(4s)-4-amino-5-[[(1s,2r)-1-[[(1s)-3-amino-1-[[(1s)-1-[[(1s)-2-[[(1s)-1-[[(1s)-1-[(3-fluorophenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₄₁H₅₀FN₉O₁₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC(=CC=C3)F)C=O)NC(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C41H50FN9O15/c1-19(53)35(51-36(61)25(43)9-10-32(55)56)41(66)50-28(14-31(44)54)39(64)49-30(16-34(59)60)40(65)47-27(13-21-17-45-26-8-3-2-7-24(21)26)38(63)48-29(15-33(57)58)37(62)46-23(18-52)12-20-5-4-6-22(42)11-20/h2-8,11,17-19,23,25,27-30,35,45,53H,9-10,12-16,43H2,1H3,(H2,44,54)(H,46,62)(H,47,65)(H,48,63)(H,49,64)(H,50,66)(H,51,61)(H,55,56)(H,57,58)(H,59,60)/t19-,23+,25+,27+,28+,29+,30+,35+/m1/s1

InChIKey

VSVFZHNMLPMMRY-QDZOKBCBSA-N

Compound name

(4S)-4-amino-5-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-(3-fluorophenyl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49769976