Cerexin b

Structural Information

Molecular Formula

C₆₉H₁₀₇N₁₅O₁₇

SMILES

CCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](C[C@H](CCN)O)C(=O)N[C@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H]([C@@H](C)CC)C(=O)O

InChI

InChI=1S/C69H107N15O17/c1-7-9-10-11-12-13-14-15-16-17-21-28-56(90)76-50(34-53(71)87)66(97)82-58(39(3)4)68(99)81-47(31-42-24-19-18-20-25-42)61(92)79-52(36-55(73)89)63(94)80-51(35-54(72)88)62(93)78-49(33-44(86)29-30-70)65(96)84-60(41(6)85)67(98)75-38-57(91)77-48(64(95)83-59(69(100)101)40(5)8-2)32-43-37-74-46-27-23-22-26-45(43)46/h18-20,22-27,37,39-41,44,47-52,58-60,74,85-86H,7-17,21,28-36,38,70H2,1-6H3,(H2,71,87)(H2,72,88)(H2,73,89)(H,75,98)(H,76,90)(H,77,91)(H,78,93)(H,79,92)(H,80,94)(H,81,99)(H,82,97)(H,83,95)(H,84,96)(H,100,101)/t40-,41+,44-,47+,48+,49-,50+,51+,52-,58+,59+,60+/m0/s1

InChIKey

ZDZVUYXFDHKIKT-BGTBYPPESA-N

Compound name

(2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S,4S)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxyhexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 85470805