Coconut antifungal peptide

Structural Information

Molecular Formula

C₄₈H₇₇N₁₇O₂₄S

SMILES

C(C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N)CN=C(N)N

InChI

InChI=1S/C48H77N17O24S/c49-20(5-11-31(67)68)37(79)57-22(6-10-30(50)66)42(84)65-29(19-90)45(87)58-21(3-1-15-55-47(51)52)38(80)59-23(7-12-32(69)70)39(81)60-24(8-13-33(71)72)40(82)61-25(9-14-34(73)74)41(83)63-28(18-36(77)78)44(86)64-27(17-35(75)76)43(85)62-26(46(88)89)4-2-16-56-48(53)54/h20-29,90H,1-19,49H2,(H2,50,66)(H,57,79)(H,58,87)(H,59,80)(H,60,81)(H,61,82)(H,62,85)(H,63,83)(H,64,86)(H,65,84)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,88,89)(H4,51,52,55)(H4,53,54,56)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

InChIKey

NZDOFOFZPHLLNL-NNMATKCZSA-N

Compound name

(4S)-4-amino-5-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 15955863