(2S)-2-[2-[2-[[2-[2-[[[(2S)-2-[2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]propanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-oxazol-4-yl]carbonylamino]ethanoylamino]ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-[2-[[2-[2-[[[(2S)-2-[2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]propanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-oxazol-4-yl]carbonylamino]ethanoylamino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[[2-[[2-[2-[[[(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]acetyl]amino]propanoyl]amino]methyl]thiazol-4-yl]oxazole-4-carbonyl]amino]acetyl]amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[[2-[[[2-[2-[[[(2S)-2-[[2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]methyl]-4-thiazolyl]-4-oxazolyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[[2-[[2-[2-[[[(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]acetyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[[2-[[2-[2-[[[(2S)-2-[[2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]acetyl]amino]propanoyl]amino]methyl]thiazol-4-yl]oxazole-4-carbonyl]amino]acetyl]amino]acetyl]amino]propionic acid Formula: C25H34N10O10S MolecularWeight: 666.66346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=NC(=CS1)C2=NC(=CO2)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=NC(=CS1)C2=NC(=CO2)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C25H34N10O10S/c1-11(32-19(39)7-29-22(41)13(26)3-4-16(27)36)21(40)31-8-20-34-15(10-46-20)24-35-14(9-45-24)23(42)30-5-17(37)28-6-18(38)33-12(2)25(43)44/h9-13H,3-8,26H2,1-2H3,(H2,27,36)(H,28,37)(H,29,41)(H,30,42)(H,31,40)(H,32,39)(H,33,38)(H,43,44)/t11-,12-,13-/m0/s1