65807-03-6

Structural Information

Molecular Formula

C₅₅H₇₆N₁₈O₁₄

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](CO)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/C55H76N18O14/c1-28(2)19-37(46(79)64-36(9-5-17-60-54(56)57)53(86)73-18-6-10-43(73)52(85)71-72-55(58)87)65-50(83)41(25-74)69-47(80)38(20-29-11-13-32(76)14-12-29)66-51(84)42(26-75)70-48(81)39(21-30-23-61-34-8-4-3-7-33(30)34)67-49(82)40(22-31-24-59-27-62-31)68-45(78)35-15-16-44(77)63-35/h3-4,7-8,11-14,23-24,27-28,35-43,61,74-76H,5-6,9-10,15-22,25-26H2,1-2H3,(H,59,62)(H,63,77)(H,64,79)(H,65,83)(H,66,84)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,85)(H4,56,57,60)(H3,58,72,87)/t35-,36-,37-,38-,39-,40-,41+,42-,43-/m0/s1

InChIKey

QFOFNUJOVIOVTO-XXJSJULJSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(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-hydroxy-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 15817658