(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[[(2S)-4-azanyl-2-bromanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[[(2S)-4-azanyl-2-bromanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-oxo-butanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-oxobutanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-keto-butanoyl]amino]propanoyl]amino]pentanoyl]amino]valeric acid Formula: C17H30BrN5O6 MolecularWeight: 480.354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCC)C(=O)O)NC(=O)C(CNC(=O)C(CC(=O)N)Br)N

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CCC)C(=O)O)NC(=O)[C@H](CNC(=O)[C@H](CC(=O)N)Br)N

InChI

InChI=1S/C17H30BrN5O6/c1-3-5-11(16(27)23-12(6-4-2)17(28)29)22-15(26)10(19)8-21-14(25)9(18)7-13(20)24/h9-12H,3-8,19H2,1-2H3,(H2,20,24)(H,21,25)(H,22,26)(H,23,27)(H,28,29)/t9-,10-,11-,12-/m0/s1