147688-42-4

Structural Information

Molecular Formula

C₅₈H₈₃N₁₇O₁₃

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NN)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)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/C58H83N17O13/c1-31(2)22-40(49(80)67-39(12-8-20-63-57(59)60)56(87)75-21-9-13-46(75)55(86)74-61)68-54(85)45(29-88-58(3,4)5)73-50(81)41(23-32-14-16-35(77)17-15-32)69-53(84)44(28-76)72-51(82)42(24-33-26-64-37-11-7-6-10-36(33)37)70-52(83)43(25-34-27-62-30-65-34)71-48(79)38-18-19-47(78)66-38/h6-7,10-11,14-17,26-27,30-31,38-46,64,76-77H,8-9,12-13,18-25,28-29,61H2,1-5H3,(H,62,65)(H,66,78)(H,67,80)(H,68,85)(H,69,84)(H,70,83)(H,71,79)(H,72,82)(H,73,81)(H,74,86)(H4,59,60,63)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1

InChIKey

KTLJNNKHFXUISN-URPVMXJPSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(hydrazinecarbonyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-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 90470122