(3S)-3-[2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]ethanoylamino]-4-[[2-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]ethanoylamino]-4-[[2-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-2-oxo-ethyl]-methyl-amino]-3-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]-methylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-4-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]-methylamino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-2-keto-ethyl]-methyl-amino]-3-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C20H36N8O8 MolecularWeight: 516.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)N(C)CC(=O)NC(CCCCN)C(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N(C)CC(=O)N[C@@H](CCCCN)C(=O)N)N

InChI

InChI=1S/C20H36N8O8/c1-11(22)19(35)25-8-14(29)24-9-15(30)27-13(7-17(32)33)20(36)28(2)10-16(31)26-12(18(23)34)5-3-4-6-21/h11-13H,3-10,21-22H2,1-2H3,(H2,23,34)(H,24,29)(H,25,35)(H,26,31)(H,27,30)(H,32,33)/t11-,12-,13-/m0/s1