AC1L9MP9

[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium

Also Known As: [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium

Molecular Formula	C37H60N13O9S+
Molecular Weight	862.4358 g/mol
LogP	-4.3
Topological Polar Surface Area	347.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	12
Rotatable Bonds	22
Exact Mass	862.4358
Monoisotopic Mass	862.4358
Heavy Atoms	60
Complexity	1590.0

Chemical Identifiers

CAS Number	95150-22-4
SMILES	C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N
InChIKey	SLDRMAKYUDOFJV-RMIXPHLWSA-O