G7-18NATE

cas: 936728-13-1 — see every product listed under this CAS number, including other names

G7-18NATE (CAS 936728-13-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

3-[(3S,6S,9S,12S,15S,21S,24S,27S,33R,36S)-9-(2-amino-2-oxoethyl)-3,24-dibenzyl-33-carbamoyl-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26,29,35-undecaoxo-31-thia-1,4,7,10,13,16,19,22,25,28,34-undecazabicyclo[34.3.0]nonatriacontan-21-yl]propanoic acid (CAS 936728-13-1) is a chemical compound with the molecular formula C67H80N14O19S and a molecular weight of 1417.5 g/mol. IUPAC name: 3-[(3S,6S,9S,12S,15S,21S,24S,27S,33R,36S)-9-(2-amino-2-oxoethyl)-3,24-dibenzyl-33-carbamoyl-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26,29,35-undecaoxo-31-thia-1,4,7,10,13,16,19,22,25,28,34-undecazabicyclo[34.3.0]nonatriacontan-21-yl]propanoic acid. InChIKey: LLCKWEISJGAWKL-NOLDGVLCSA-N.

Identity
Molecular formulaC67H80N14O19S
Molecular weight1417.5 g/mol
IUPAC name3-[(3S,6S,9S,12S,15S,21S,24S,27S,33R,36S)-9-(2-amino-2-oxoethyl)-3,24-dibenzyl-33-carbamoyl-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26,29,35-undecaoxo-31-thia-1,4,7,10,13,16,19,22,25,28,34-undecazabicyclo[34.3.0]nonatriacontan-21-yl]propanoic acid
InChIKeyLLCKWEISJGAWKL-NOLDGVLCSA-N
SMILESC[C@H]([C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC(=O)O)CC3=CC=C(C=C3)O)CCC(=O)O)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65)C(=O)N)CC7=CC=CC=C7)O

Computed by PubChem (NCBI)

Synonyms: orb2563761

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