(2S)-6-azanyl-2-[2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-phosphonooxy-propanoyl]amino]ethanoylamino]-5-[(N'-methylcarbamimidoyl)amino]pentanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-phosphonooxy-propanoyl]amino]ethanoylamino]-5-[(N'-methylcarbamimidoyl)amino]pentanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-phosphonooxy-propanoyl]amino]acetyl]amino]-5-[(N'-methylcarbamimidoyl)amino]pentanoyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[[(2S)-5-[[amino(methylimino)methyl]amino]-2-[[2-[[(2S)-2-amino-1-oxo-3-phosphonooxypropyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-phosphonooxypropanoyl]amino]acetyl]amino]-5-[(N'-methylcarbamimidoyl)amino]pentanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-phosphonooxy-propanoyl]amino]acetyl]amino]-5-[(N'-methylamidino)amino]pentanoyl]amino]acetyl]amino]hexanoic acid Formula: C20H40N9O10P MolecularWeight: 597.559661

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NCCCC(C(=O)NCC(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(COP(=O)(O)O)N

Isomeric SMILES

CN=C(N)NCCC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](COP(=O)(O)O)N

InChI

InChI=1S/C20H40N9O10P/c1-24-20(23)25-8-4-6-13(28-15(30)9-26-17(32)12(22)11-39-40(36,37)38)18(33)27-10-16(31)29-14(19(34)35)5-2-3-7-21/h12-14H,2-11,21-22H2,1H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31)(H,34,35)(H3,23,24,25)(H2,36,37,38)/t12-,13-,14-/m0/s1