(2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]propanoyl]amino]-4-keto-butyric acid Formula: C20H37N9O7S MolecularWeight: 547.62888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C20H37N9O7S/c1-10(16(32)29-13(19(35)36)8-14(22)30)27-15(31)9-26-18(34)12(4-3-6-25-20(23)24)28-17(33)11(21)5-7-37-2/h10-13H,3-9,21H2,1-2H3,(H2,22,30)(H,26,34)(H,27,31)(H,28,33)(H,29,32)(H,35,36)(H4,23,24,25)/t10-,11-,12-,13-/m0/s1