Nsc615273

Structural Information

Molecular Formula

C₉₀H₁₄₄N₂₄O₂₄

SMILES

CCCCCCCCCCCCCC(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N

InChI

InChI=1S/C90H144N24O24/c1-10-11-12-13-14-15-16-17-18-19-20-29-69(118)99-45-71(120)102-52(8)77(127)105-59(27-23-36-96-89(92)93)80(130)103-53(9)78(128)112-68(48-116)87(137)114-75(51(6)7)88(138)111-64(39-50(4)5)84(134)113-67(47-115)79(129)101-44-70(119)100-46-72(121)104-61(34-35-73(122)123)82(132)108-63(38-49(2)3)83(133)110-66(42-74(124)125)86(136)106-60(28-24-37-97-90(94)95)81(131)109-65(41-55-43-98-58-26-22-21-25-57(55)58)85(135)107-62(76(91)126)40-54-30-32-56(117)33-31-54/h21-22,25-26,30-33,43,49-53,59-68,75,98,115-117H,10-20,23-24,27-29,34-42,44-48H2,1-9H3,(H2,91,126)(H,99,118)(H,100,119)(H,101,129)(H,102,120)(H,103,130)(H,104,121)(H,105,127)(H,106,136)(H,107,135)(H,108,132)(H,109,131)(H,110,133)(H,111,138)(H,112,128)(H,113,134)(H,114,137)(H,122,123)(H,124,125)(H4,92,93,96)(H4,94,95,97)

InChIKey

KJQUAFFJWPNFBB-UHFFFAOYSA-N

Compound name

5-[[1-[[1-[[1-[[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[5-carbamimidamido-2-[2-[[2-(tetradecanoylamino)acetyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16129861