Pheganomycin DR
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Pheganomycin DR|J3.199.406C|Arginine, N(sup 2)-(N-(N(sup 2)-(N-(N(sup 2)-(N-(aminoiminomethyl)-2-(3,5-dihydroxy-4-(hydroxymethyl)phenyl)glycyl)asparaginyl)-3-methylvalyl)lysyl)-alpha-aspartyl)-|(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamimidamido-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetamido]-3-carbamoylpropanamido]-3,3-dimethylbutanamido]hexanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid|(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-3-carbamoyl-2-[[(2s)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]propanoyl]amino]-3,3-dimethyl-butanoyl]amino]hexanoyl]amino]-3-carboxy-propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid|(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid|[(2S)-2-[4-(Hydroxymethyl)-3,5-dihydroxyphenyl]-2-guanidinoacetyl]-L-Asn-3-methyl-L-Val-L-Lys-L-Asp-L-Arg-OH|N-Amidino-3,5-dihydroxy-4-(hydroxymethyl)-L-phenyl Gly-L-Asn-3-methyl-L-Val-L-Lys-L-alphaAsp-L-Arg-OH|N~2~-{(2S)-2-[(Diaminomethylidene)amino]-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl}-L-asparaginyl-3-methyl-L-valyl-L-lysyl-L-alpha-aspartyl-N~5~-(diaminomethylidene)-L-ornithine
| Molecular Formula | C36H59N13O13 |
|---|---|
| Molecular Weight | 881.43555 g/mol |
| LogP | -5.008 |
| Topological Polar Surface Area | 478.7 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 881.43555 |
| Monoisotopic Mass | 881.43555 |
| Heavy Atoms | 62 |
| Complexity | 1820.9614 |
Chemical Identifiers
| CAS Number | 69280-91-7 |
|---|---|
| SMILES | CC(C)(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C1=CC(=C(C(=C1)O)CO)O)N=C(N)N |
Product Overview
Pheganomycin DR (CAS 69280-91-7), with molecular formula C36H59N13O13 and molecular weight 881.43555 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.