2-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[2-[(2-acetamido-6-amino-hexanoyl)amino]propanoylamino]-3-phenyl-prop-2-enoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-6-amino-hexanoyl]amino]-3-phenyl-prop-2-enoyl]amino]pentanoylamino]-6-amino-hexanoyl]amino]-3-phenyl-prop-2-enoyl]amino]propanoyl]-6-amino-hexanamide

Structural Information

Molecular Formula

C₇₅H₁₀₂N₁₆O₁₂

SMILES

CCCC(C(=O)NC(CCCCN)C(=O)NC(=CC1=CC=CC=C1)C(=O)NC(C)C(=O)C(CCCCN)C(=O)N)NC(=O)C(=CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(=CC5=CC=CC=C5)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C

InChI

InChI=1S/C75H102N16O12/c1-5-25-57(69(97)86-59(36-19-23-40-78)70(98)89-61(42-50-26-9-6-10-27-50)72(100)82-47(2)65(93)55(66(80)94)33-17-21-38-76)85-73(101)63(44-52-30-13-8-14-31-52)90-71(99)60(37-20-24-41-79)87-75(103)64(45-53-46-81-56-34-16-15-32-54(53)56)91-74(102)62(43-51-28-11-7-12-29-51)88-67(95)48(3)83-68(96)58(84-49(4)92)35-18-22-39-77/h6-16,26-32,34,42-44,46-48,55,57-60,64,81H,5,17-25,33,35-41,45,76-79H2,1-4H3,(H2,80,94)(H,82,100)(H,83,96)(H,84,92)(H,85,101)(H,86,97)(H,87,103)(H,88,95)(H,89,98)(H,90,99)(H,91,102)

InChIKey

DVOGFTSWHLOIGP-UHFFFAOYSA-N

Compound name

2-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[2-[(2-acetamido-6-aminohexanoyl)amino]propanoylamino]-3-phenylprop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-3-phenylprop-2-enoyl]amino]pentanoylamino]-6-aminohexanoyl]amino]-3-phenylprop-2-enoyl]amino]propanoyl]-6-aminohexanamide

Related CIDs

• CID 86576542