Nsc672669

Structural Information

Molecular Formula

C₉₈H₁₄₉N₁₅O₂₀S

SMILES

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)OC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CSC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC(=O)N)NC(=O)C(CCCCNC(=O)OC(C)(C)C)N)OC(C)(C)C

InChI

InChI=1S/C98H149N15O20S/c1-59(129-93(6,7)8)77(87(123)107-71(52-62-41-29-25-30-42-62)85(121)113-78(60(2)130-94(9,10)11)88(124)108-73(57-128-92(3,4)5)86(122)109-74(58-134-98(21,22)23)89(125)131-95(12,13)14)112-82(118)69(48-36-38-50-102-91(127)133-97(18,19)20)104-79(115)66(54-64-56-103-68-47-34-33-45-65(64)68)80(116)110-76(53-63-43-31-26-32-44-63)111-84(120)70(51-61-39-27-24-28-40-61)106-83(119)72(55-75(100)114)105-81(117)67(99)46-35-37-49-101-90(126)132-96(15,16)17/h24-34,39-45,47,56,59-60,66-67,69-74,76-78,103H,35-38,46,48-55,57-58,99H2,1-23H3,(H2,100,114)(H,101,126)(H,102,127)(H,104,115)(H,105,117)(H,106,119)(H,107,123)(H,108,124)(H,109,122)(H,110,116)(H,111,120)(H,112,118)(H,113,121)

InChIKey

LACVMGGQCNVSNR-UHFFFAOYSA-N

Compound name

tert-butyl 2-[[2-[[2-[[2-[[2-[[2-[[3-[[1-[[2-[[4-amino-2-[[2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-2-phenylethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-tert-butylsulfanylpropanoate

Related CIDs

• CID 16129806