(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]ethanoylamino]hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]ethanoylamino]hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]acetyl]amino]hexanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]acetyl]amino]hexanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C21H37N7O9S MolecularWeight: 563.62498

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)CNC(=O)C(CS)N

Isomeric SMILES

C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CS)N

InChI

InChI=1S/C21H37N7O9S/c22-8-2-1-3-12(26-16(30)9-25-18(33)11(23)10-38)19(34)27-13(5-7-17(31)32)20(35)28-14(21(36)37)4-6-15(24)29/h11-14,38H,1-10,22-23H2,(H2,24,29)(H,25,33)(H,26,30)(H,27,34)(H,28,35)(H,31,32)(H,36,37)/t11-,12-,13-,14-/m0/s1