Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine
(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]oxy-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
Also Known As: Lpigppal|Lys-pro-ile-glu-phe-phe(4-No2)-arg-leu|Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine|(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]oxy-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
| Molecular Formula | C52H79N13O13 |
|---|---|
| Molecular Weight | 1093.592 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 435.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 34 |
| Exact Mass | 1093.592 |
| Monoisotopic Mass | 1093.592 |
| Heavy Atoms | 78 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 98751-93-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N |
| InChIKey | LCHZFQHFQBCEDU-IQZOZZQVSA-N |
Product Overview
Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine (CAS 98751-93-0), with molecular formula C52H79N13O13 and molecular weight 1093.592 g/mol. IUPAC: (4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]oxy-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid.