Products 214542-43-5
CAS 214542-43-5 is the registry number for Thanatin, 98.40%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 10 mg, 1 mg, 25 mg.
(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(4R,7S,13S,16S,19S,22S,25R)-25-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-7-(4-aminobutyl)-22-(2-amino-2-oxoethyl)-16,19-bis(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoic acid (CAS 214542-43-5) is a chemical compound with the molecular formula C103H177N35O27S3 and a molecular weight of 2433.9 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(4R,7S,13S,16S,19S,22S,25R)-25-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-7-(4-aminobutyl)-22-(2-amino-2-oxoethyl)-16,19-bis(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoic acid. InChIKey: DCZCDYDLCVFDKH-OIOGWZQLSA-N.
| Molecular formula | C103H177N35O27S3 |
|---|---|
| Molecular weight | 2433.9 g/mol |
| IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(4R,7S,13S,16S,19S,22S,25R)-25-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-7-(4-aminobutyl)-22-(2-amino-2-oxoethyl)-16,19-bis(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoic acid |
| InChIKey | DCZCDYDLCVFDKH-OIOGWZQLSA-N |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@@H](C)O)CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CN |
Computed by PubChem (NCBI)
Synonyms:
Thanatin, orb1943764