Mpg & p7

Structural Information

Molecular Formula

C₆₈H₉₁N₁₅O₁₉S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C68H91N15O19S/c1-34(84)56(66(100)77-47(19-22-53(87)88)60(94)71-26-27-103)83-65(99)52(30-39-33-74-46-18-9-6-14-42(39)46)78-64(98)51(29-38-32-73-45-17-8-5-13-41(38)45)80-68(102)58(36(3)86)82-62(96)49(21-24-55(91)92)76-63(97)50(28-37-31-72-44-16-7-4-12-40(37)44)79-67(101)57(35(2)85)81-61(95)48(20-23-54(89)90)75-59(93)43(70)15-10-11-25-69/h4-9,12-14,16-18,31-36,43,47-52,56-58,72-74,84-86,103H,10-11,15,19-30,69-70H2,1-3H3,(H,71,94)(H,75,93)(H,76,97)(H,77,100)(H,78,98)(H,79,101)(H,80,102)(H,81,95)(H,82,96)(H,83,99)(H,87,88)(H,89,90)(H,91,92)/t34-,35-,36-,43+,47+,48+,49+,50+,51+,52+,56+,57+,58+/m1/s1

InChIKey

BMDHZQMSOGQQSS-AQLZPPLUSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130586
• CID 16130590