1926163-83-8

Structural Information

Molecular Formula

C₆₁H₈₆N₁₈O₁₅

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](COC(=O)C)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/C61H86N18O15/c1-32(2)23-42(51(84)70-41(13-9-21-66-59(62)63)58(91)79-22-10-14-48(79)57(90)77-78-60(64)92)71-56(89)47(30-94-61(4,5)6)76-52(85)43(24-34-15-17-37(81)18-16-34)72-55(88)46(29-93-33(3)80)75-53(86)44(25-35-27-67-39-12-8-7-11-38(35)39)73-54(87)45(26-36-28-65-31-68-36)74-50(83)40-19-20-49(82)69-40/h7-8,11-12,15-18,27-28,31-32,40-48,67,81H,9-10,13-14,19-26,29-30H2,1-6H3,(H,65,68)(H,69,82)(H,70,84)(H,71,89)(H,72,88)(H,73,87)(H,74,83)(H,75,86)(H,76,85)(H,77,90)(H4,62,63,66)(H3,64,78,92)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1

InChIKey

KREYNRXTZROSOF-UVLQAERKSA-N

Compound name

[(2S)-3-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-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]-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxopropyl] acetate

Related CIDs

• CID 145707800