[(4R)-4-[2-[[(2S)-2-[[(2R)-2-azaniumyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium

Systemtic Name: [(4R)-4-[2-[[(2S)-2-[[(2R)-2-azaniumyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium Openeye Name: [(4R)-4-[[2-[[(2S)-2-[[(2R)-2-azaniumyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: [(4R)-4-[[2-[[(2S)-2-[[(2R)-2-ammonio-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-5-hydroxy-5-oxopentyl]-(diaminomethylidene)ammonium IUPAC Name: [(4R)-4-[[2-[[(2S)-2-[[(2R)-2-azaniumyl-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentyl]-(diaminomethylidene)azanium Traditional Name: [(4R)-4-[[2-[[(2S)-2-[[(2R)-2-ammonio-3-mercapto-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentyl]-(diaminomethylene)ammonium Formula: C17H35N7O5S+2 MolecularWeight: 449.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCC[NH+]=C(N)N)C(=O)O)NC(=O)C(CS)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCC[NH+]=C(N)N)C(=O)O)NC(=O)[C@H](CS)[NH3+]

InChI

InChI=1S/C17H33N7O5S/c1-9(2)6-12(24-14(26)10(18)8-30)15(27)22-7-13(25)23-11(16(28)29)4-3-5-21-17(19)20/h9-12,30H,3-8,18H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)(H4,19,20,21)/p+2/t10-,11+,12-/m0/s1