去氨缩宫素 | 113-78-0

中文名称：去氨缩宫素
英文名称：Glycinamide,N-(3-mercapto-1-oxopropyl)-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-,cyclic (1®5)-disulfide
CAS No.：113-78-0 分子式：C₄₃H₆₅N₁₁O₁₂S₂ 分子量：992.172700000002
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：去氨缩宫素结构式

去氨缩宫素的其他展现形式

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名称和标识符

Inchi	InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23?,26?,27-,28?,29?,30?,31-,36?/m0/s1
InChIKey	GTYWGUNQAMYZPF-KFATXQGKSA-N
SMILES	NC(CNC([C@@H](NC([C@@H]1CCCN1C(C1CSSCCC(=O)NC(CC2C=CC(O)=CC=2)C(=O)NC(C(CC)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N1)=O)=O)CC(C)C)=O)=O

别名信息

- 中文别名 -

去氨缩宫素噻唑-4-硼酸频那醇酯

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- 英文别名 -

demoxytocin deaminooxytocin Deaminoxytocin desamino-oxytocin Glycinamide,N-(3-mercapto-1-oxopropyl)-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-,cyclic (1&reg Demossitocina [DCIT] 1-(3-Mercaptopropionic acid)oxytocin 1-[4-(2-amino-2-keto-ethyl)-7-(3-amino-3-keto-propyl)-13-(4-hydroxybenzyl)-3,6,9,12,15-pentaketo-10-sec-butyl-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]-N-[1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-10-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]pyrrolidine-2-carboxamide N-[1-[(2-azanyl-2-oxo-ethyl)amino]-4-methyl-1-oxo-pentan-2-yl]-1-[[4-(2-azanyl-2-oxo-ethyl)-7-(3-azanyl-3-oxo-propyl)-10-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-18,19-dithia-2,5,8,11,14-pentazacycloicos-1-yl]carbonyl]pyrrolidine-2-carboxamide

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物化性质

计算特性

精确分子量

991.42600

实验特性

PSA	424.11000
LogP	1.91880