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Cicatrin
CAS Number: 8055-43-4
IUPAC name: zinc;2-aminoacetic acid;(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5S,6R)-3,6-diamino-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;(2S,3R)-2-amino-3-hydroxybutanoic acid;(4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;sulfuric acid
Molecular formula: C97H174N26O48S5Zn+2
Molecular weight: 2698.3
InChI: InChI=1S/C66H103N17O16S.C22H44N6O13.C4H9NO3.C3H7NO2S.C2H5NO2.3H2O4S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;23-2-6-11(31)12(32)8(26)20(36-6)38-16-5(25)1-4(24)10(30)18(16)40-22-15(35)17(7(3-29)37-22)39-21-9(27)13(33)14(34)19(28)41-21;1-2(6)3(5)4(7)8;4-2(1-7)3(5)6;3-1-2(4)5;3*1-5(2,3)4;/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);4-22,29-35H,1-3,23-28H2;2-3,6H,5H2,1H3,(H,7,8);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5);3*(H2,1,2,3,4);/q;;;;;;;;+2/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-;4-,5+,6-,7-,8-,9-,10+,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21+,22+;2-,3+;2-;;;;;/m0110...../
InChIKey: OJCAEDBHSLJEKD-QBNDBTJUSA-N
SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4.C[C@H]([C@@H](C(=O)O)N)O.C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)N)O)O)N)O)O)N.C([C@@H](C(=O)O)N)S.C(C(=O)O)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.[Zn+2]
EINECS: -
