(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C23H41N7O9S MolecularWeight: 591.67814

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)CNC(=O)C(CCCCN)N

Isomeric SMILES

CSCC[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](CCCCN)N

InChI

InChI=1S/C23H41N7O9S/c1-40-11-9-15(28-18(32)12-27-20(35)13(25)4-2-3-10-24)22(37)29-14(6-8-19(33)34)21(36)30-16(23(38)39)5-7-17(26)31/h13-16H,2-12,24-25H2,1H3,(H2,26,31)(H,27,35)(H,28,32)(H,29,37)(H,30,36)(H,33,34)(H,38,39)/t13-,14-,15-,16-/m0/s1