Account ((S)-2-((S)-2-((S)-2-((S)-1-(L-alanyl-L-phenylalanyl-L-leucyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-5-((diaminomethylene)amino)pentanoyl)-L-leucyl-L-phenylalanine
- Catalog No. :
- ACKYYB132
- CAS No. :
- 166188-11-0
- Molecular Formula :
- C61H83N15O10
- Molecular Weight :
- 1186.43
IUPAC Name:((S)-2-((S)-2-((S)-2-((S)-1-(L-alanyl-L-phenylalanyl-L-leucyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-5-((diaminomethylene)amino)pentanoyl)-L-leucyl-L-phenylalanine
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Product Information
| Product Name | ((S)-2-((S)-2-((S)-2-((S)-1-(L-alanyl-L-phenylalanyl-L-leucyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-5-((diaminomethylene)amino)pentanoyl)-L-leucyl-L-phenylalanine |
|---|---|
| IUPAC Name | ((S)-2-((S)-2-((S)-2-((S)-1-(L-alanyl-L-phenylalanyl-L-leucyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-5-((diaminomethylene)amino)pentanoyl)-L-leucyl-L-phenylalanine |
| Molecular Formula | C61H83N15O10 |
| Molecular Weight | 1186.43 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
| InChI Key | ZDTHINDBILABAB-WDGXTDPFSA-N |
| Synonym | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid;L-Phenylalanine, L-alanyl-L-phenylalanyl-L-leucyl-L-prolyl-L-tryptophyl-L-histidyl-L-arginyl-L-leucyl-;L-Alanyl-L-phenylalanyl-L-leucyl-L-prolyl-L-tryptophyl-L-histidyl-L-arginyl-L-leucyl-L-phenylalanine |
| CAS No. | 166188-11-0 |
| PubChem CID | 9941717 |
Synthetic Route by SureRoute
2. ACKYYB132 Molecular Building Block Synthetic Route
(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-15-methyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide
(S)-1-((3S,6S,9S,12S,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide
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