alpha-Casozepine is a fragment of alpha(s1)-casein with anxiolytic activity.
CAT No: R1908
CAS No: 117592-45-7
Synonyms/Alias: alpha-Casozepine;lactium;117592-45-7;I24KIH8EZS;UNII-I24KIH8EZS;ZYLKENE;.ALPHA.-CASOZEPINE;ALPHA-CASOZEPINE [WHO-DD];TYR-LEU-GLY-TYR-LEU-GLU-GLN-LEU-LEU-ARG;(2S,5S,8S,11S,14S)-11-(3-amino-3-oxopropyl)-14-((2S,5S,11S,14S)-14-amino-5-(4-hydroxybenzyl)-15-(4-hydroxyphenyl)-2,11-diisobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-2-(3-guanidinopropyl)-5,8-diisobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid;L-ARGININE, L-TYROSYL-L-LEUCYLGLYCYL-L-TYROSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-GLUTAMINYL-L-LEUCYL-L-LEUCYL-;L-TYROSYL-L-LEUCYLGLYCYL-L-TYROSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-GLUTAMINYL-L-LEUCYL-L-LEUCYL-L-ARGININE;|A-Casozepine;SCHEMBL22413050;HY-P2602;AKOS040750345;L-ARGININE, L-TYROSYL-L-LEUCYLGLYCYL-L-TYROSYL-L-LEUCYL-L-ALPHA-GLUTAMYL-L-GLUTAMINYL-L-LEUCYL-L-LEUCYL-;L-TYROSYL-L-LEUCYLGLYCYL-L-TYROSYL-L-LEUCYL-L-ALPHA-GLUTAMYL-L-GLUTAMINYL-L-LEUCYL-L-LEUCYL-L-ARGININE;
Chemical Name: (4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
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M.F/Formula | C60H94N14O16 |
M.W/Mr. | 1267.5 |
Sequence | One Letter Code:YLGYLEQLLR Three Letter Code:H-Tyr-Leu-Gly-Tyr-Leu-Glu-Gln-Leu-Leu-Arg-OH |
Appearance | Solid powder |
Long-term Storage Conditions | Soluble in DMSO |
Shipping Condition | Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs. |
InChI | InChI=1S/C60H94N14O16/c1-31(2)24-43(71-51(81)39(61)28-35-11-15-37(75)16-12-35)52(82)66-30-49(78)67-47(29-36-13-17-38(76)18-14-36)58(88)74-44(25-32(3)4)55(85)69-41(20-22-50(79)80)53(83)68-40(19-21-48(62)77)54(84)72-46(27-34(7)8)57(87)73-45(26-33(5)6)56(86)70-42(59(89)90)10-9-23-65-60(63)64/h11-18,31-34,39-47,75-76H,9-10,19-30,61H2,1-8H3,(H2,62,77)(H,66,82)(H,67,78)(H,68,83)(H,69,85)(H,70,86)(H,71,81)(H,72,84)(H,73,87)(H,74,88)(H,79,80)(H,89,90)(H4,63,64,65)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 |
InChI Key | SKGURMFKEAFAGD-CSYZDTNESA-N |
Canonical SMILES | CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)N |
Isomeric SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N |
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