Nsc618057

Structural Information

Molecular Formula

C₆₁H₇₄N₁₄O₁₇S

SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC5=CN=CN5)N

InChI

InChI=1S/C61H74N14O17S/c62-40(26-38-28-64-33-67-38)53(83)74-47(31-76)60(90)71-43(23-35-12-6-2-7-13-35)57(87)72-45(27-49(63)78)59(89)75-48(32-93)54(84)66-29-50(79)65-30-51(80)68-41(20-21-52(81)82)55(85)69-42(22-34-10-4-1-5-11-34)56(86)70-44(24-36-14-8-3-9-15-36)58(88)73-46(61(91)92)25-37-16-18-39(77)19-17-37/h1-19,28,33,40-48,76-77,93H,20-27,29-32,62H2,(H2,63,78)(H,64,67)(H,65,79)(H,66,84)(H,68,80)(H,69,85)(H,70,86)(H,71,90)(H,72,87)(H,73,88)(H,74,83)(H,75,89)(H,81,82)(H,91,92)

InChIKey

XEJRWNYVUMRBGB-UHFFFAOYSA-N

Compound name

4-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25077663