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

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-[[(2S)-4-azanyl-2-bromanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-oxo-butanoyl]amino]propanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-1,4-dioxobutyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-oxobutanoyl]amino]propanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-keto-butanoyl]amino]propanoyl]amino]valeric acid Formula: C12H21BrN4O5 MolecularWeight: 381.22294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21BrN4O5/c1-2-3-8(12(21)22)17-11(20)7(14)5-16-10(19)6(13)4-9(15)18/h6-8H,2-5,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t6-,7-,8-/m0/s1