Account (6S,9S,12S,15S,18S)-1,1,6-triamino-9-(4-aminobutyl)-12-(carboxymethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--acetic acid (1/1)
- Catalog No. :
- ACTBSQ793
- CAS No. :
- 89318-88-7
- Molecular Formula :
- C32H53N9O11
- Molecular Weight :
- 739.83
IUPAC Name:(6S,9S,12S,15S,18S)-1,1,6-triamino-9-(4-aminobutyl)-12-(carboxymethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--acetic acid (1/1)
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Product Information
| Product Name | (6S,9S,12S,15S,18S)-1,1,6-triamino-9-(4-aminobutyl)-12-(carboxymethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--acetic acid (1/1) |
|---|---|
| IUPAC Name | (6S,9S,12S,15S,18S)-1,1,6-triamino-9-(4-aminobutyl)-12-(carboxymethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--acetic acid (1/1) |
| Molecular Formula | C32H53N9O11 |
| Molecular Weight | 739.83 |
| SMILES | CC(=O)O.CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
| InChI Key | YRTISBKUCLDRGF-ADVSENJOSA-N |
| Synonym | acetic acid:(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid |
| CAS No. | 89318-88-7 |
Synthetic Route by SureRoute
2. ACTBSQ793 Molecular Building Block Synthetic Route
(6S,9S,12S,15S,18S)-1,6-Diamino-9-(4-aminobutyl)-12-(carboxymethyl)-18-(4-hydroxybenzyl)-1-imino-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadecan-19-oic acid
(2S,5S,8S,11S)-11-(4-Aminobutyl)-8-(carboxymethyl)-2-(4-hydroxybenzyl)-5-isopropyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanoic acid
(2S,5S,8S,11S)-11-(4-Aminobutyl)-8-(carboxymethyl)-2-(4-hydroxybenzyl)-5-isopropyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanoic acid acetate salt