(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-sulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-sulfanyl-butanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-mercaptobutanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-sulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoyl]prolyl]amino]-4-mercapto-butyric acid Formula: C20H37N5O5S MolecularWeight: 459.60328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCS)C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCS)C(=O)O)N

InChI

InChI=1S/C20H37N5O5S/c1-12(2)16(22)18(27)23-13(6-3-4-9-21)19(28)25-10-5-7-15(25)17(26)24-14(8-11-31)20(29)30/h12-16,31H,3-11,21-22H2,1-2H3,(H,23,27)(H,24,26)(H,29,30)/t13-,14-,15-,16-/m0/s1