73644-49-2

Structural Information

Molecular Formula

C₅₅H₇₃I₂N₁₇O₁₃

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC(=C(C(=C2)I)O)I)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C55H73I2N17O13/c1-27(2)15-37(49(82)69-36(9-5-13-62-55(59)60)54(87)74-14-6-10-42(74)53(86)64-23-43(58)76)68-45(78)24-65-47(80)38(18-28-16-32(56)46(79)33(57)17-28)70-52(85)41(25-75)73-50(83)39(19-29-21-63-34-8-4-3-7-31(29)34)71-51(84)40(20-30-22-61-26-66-30)72-48(81)35-11-12-44(77)67-35/h3-4,7-8,16-17,21-22,26-27,35-42,63,75,79H,5-6,9-15,18-20,23-25H2,1-2H3,(H2,58,76)(H,61,66)(H,64,86)(H,65,80)(H,67,77)(H,68,78)(H,69,82)(H,70,85)(H,71,84)(H,72,81)(H,73,83)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

HRUDYPFKFIMXLJ-BXXNOCLASA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 102601448