(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-heptanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-heptanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-heptanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-1-oxoheptyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxyheptanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-heptanoyl]amino]pentanoyl]amino]pentanoyl]amino]succinic acid Formula: C21H38N4O8 MolecularWeight: 474.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(=O)NC(CCC)C(=O)NC(CCC)C(=O)NC(CC(=O)O)C(=O)O)O)N

Isomeric SMILES

CCCC[C@H]([C@@H](C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N

InChI

InChI=1S/C21H38N4O8/c1-4-7-10-12(22)17(28)20(31)24-14(9-6-3)18(29)23-13(8-5-2)19(30)25-15(21(32)33)11-16(26)27/h12-15,17,28H,4-11,22H2,1-3H3,(H,23,29)(H,24,31)(H,25,30)(H,26,27)(H,32,33)/t12-,13+,14+,15+,17+/m1/s1