Conotoxin mi

Structural Information

Molecular Formula

C₅₉H₉₃N₂₁O₁₇S₄

SMILES

C[C@@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)[C@H](CS)NC(=O)C(CC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)CS

InChI

InChI=1S/C59H93N21O17S4/c1-29(70-57(96)43-8-5-15-80(43)58(97)38(18-32-21-66-28-69-32)75-56(95)42(27-101)79-50(89)31(24-98)17-44(83)34(71-46(85)20-61)7-4-14-67-59(64)65)49(88)78-41(26-100)51(90)68-22-47(86)72-35(6-2-3-13-60)52(91)74-37(19-45(62)84)54(93)73-36(16-30-9-11-33(82)12-10-30)53(92)76-39(23-81)55(94)77-40(25-99)48(63)87/h9-12,21,28-29,31,34-43,81-82,98-101H,2-8,13-20,22-27,60-61H2,1H3,(H2,62,84)(H2,63,87)(H,66,69)(H,68,90)(H,70,96)(H,71,85)(H,72,86)(H,73,93)(H,74,91)(H,75,95)(H,76,92)(H,77,94)(H,78,88)(H,79,89)(H4,64,65,67)/t29-,31?,34-,35-,36-,37-,38?,39-,40-,41-,42-,43-/m0/s1

InChIKey

YXBQTKPMFURSAT-AZDLGQIMSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-[(2-aminoacetyl)amino]-8-(diaminomethylideneamino)-4-oxo-2-(sulfanylmethyl)octanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide

Related CIDs

• CID 5486192