19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid
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![19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/238699c3e05b47e79c8d9d27d37c0d45.png "19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid")
19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid
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CAS No:
35748-51-7
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Formula:
C33H42N8O10S2
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Chemical Name:
19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid
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Synonyms:
L-cysteinyl->L-tyrosyl->L-phenylalanyl->L-glutaminyl->L-asparaginyl->L-cysteine [1]->[6]-disulfide; Pressinoic acid; pressinoic acid (disulfide); 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane,cyclic peptide deriv.; 19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxylic acid; Oxytocin,3-L-phenylalanine-7-de-L-proline-8-de-L-leucine-9-deglycinamide; (7-de-L-proline)-[8-de-(amino acid)]-[9-de-(glycine amide)]-vasopressin;Expand
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CAS No:
19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid Basic Attributes
774.86400
774.24653191
Drug Information
L-cysteinyl-tyrosyl-phenylalanyl-glutaminyl-asparaginyl-cysteine-cyclic (1-6)-disulfide
Computed Properties
Molecular Weight:774.9
XLogP3:-4.4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:10
Exact Mass:774.24653191
Monoisotopic Mass:774.24653191
Topological Polar Surface Area:366
Heavy Atom Count:53
Complexity:1330
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Latest News on 19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid
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