F-991

Structural Information

Molecular Formula

C₄₃H₆₀N₁₄O₁₁S₂

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)N

InChI

InChI=1S/C43H60N14O11S2/c1-21(2)8-31(43(67)68)54-41(65)33(17-69)57-42(66)34(18-70)56-39(63)29(10-24-13-45-19-49-24)51-35(59)15-48-37(61)32(16-58)55-38(62)28(9-23-12-47-27-7-5-4-6-26(23)27)53-40(64)30(52-36(60)22(3)44)11-25-14-46-20-50-25/h4-7,12-14,19-22,28-34,47,58,69-70H,8-11,15-18,44H2,1-3H3,(H,45,49)(H,46,50)(H,48,61)(H,51,59)(H,52,60)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,67,68)/t22-,28-,29-,30-,31-,32-,33-,34-/m0/s1

InChIKey

BWCARSGBKSFOCL-OSTURJEUSA-N

Compound name

(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 10290602