Chemical Compound
3-(3-(1-((14S,17S,20S,23S,26S,29S)-33-amino-26-(2-amino-2-oxoethyl)-29-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-14-(2-carboxyethyl)-23-(carboxymethyl)-20-(4-hydroxybenzyl)-17-isobutyl-12,15,18,21,24,27-hexaoxo-3,6,9-trioxa-13,16,19,22,25,28-hexaazatritriacontyl)-1H-1,2,3-triazol-4-yl)propoxy)-5-(3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid compound with methane (1:1)
Primary Record
3-(3-(1-((14S,17S,20S,23S,26S,29S)-33-amino-26-(2-amino-2-oxoethyl)-29-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-14-(2-carboxyethyl)-23-(carboxymethyl)-20-(4-hydroxybenzyl)-17-isobutyl-12,15,18,21,24,27-hexaoxo-3,6,9-trioxa-13,16,19,22,25,28-hexaazatritriacontyl)-1H-1,2,3-triazol-4-yl)propoxy)-5-(3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid compound with methane (1:1)
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 91827267
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCOCCN5C=C(N=N5)CCCOC6=CC(=CC(=C6)C(=O)O)OCCCC7=C(NN=C7C)C
- Canonical SMILES
- CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCOCCn1cc(CCCOc2cc(OCCCc3c(C)n[nH]c3C)cc(C(=O)O)c2)nn1)C(=O)N[C@@H](CC(C)C)C(=O)O
Names & Synonyms
- 3-(3-(1-((14S,17S,20S,23S,26S,29S)-33-amino-26-(2-amino-2-oxoethyl)-29-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-14-(2-carboxyethyl)-23-(carboxymethyl)-20-(4-hydroxybenzyl)-17-isobutyl-12,15,18,21,24,27-hexaoxo-3,6,9-trioxa-13,16,19,22,25,28-hexaazatritriacontyl)-1H-1,2,3-triazol-4-yl)propoxy)-5-(3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid compound with methane (1:1)