Guanylin

Structural Information

Molecular Formula

C₆₀H₉₄N₁₆O₂₂S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCCN2

InChI

InChI=1S/C60H94N16O22S4/c1-8-25(2)44(74-51(88)34(15-16-43(82)83)68-55(92)38(22-100)73-59(96)46(30(7)78)76-53(90)36(19-41(61)80)70-50(87)33-10-9-17-62-33)58(95)72-37(21-99)54(91)66-28(5)48(85)69-35(18-31-11-13-32(79)14-12-31)52(89)65-26(3)47(84)64-27(4)49(86)71-39(23-101)56(93)75-45(29(6)77)57(94)63-20-42(81)67-40(24-102)60(97)98/h11-14,25-30,33-40,44-46,62,77-79,99-102H,8-10,15-24H2,1-7H3,(H2,61,80)(H,63,94)(H,64,84)(H,65,89)(H,66,91)(H,67,81)(H,68,92)(H,69,85)(H,70,87)(H,71,86)(H,72,95)(H,73,96)(H,74,88)(H,75,93)(H,76,90)(H,82,83)(H,97,98)/t25-,26-,27-,28-,29+,30+,33-,34-,35-,36-,37-,38-,39-,40-,44-,45-,46-/m0/s1

InChIKey

SULKGYKWHKPPKO-RAJPIYRYSA-N

Compound name

(4S)-4-[[(2R)-2-[[(2S,3R)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5489468