(2S)-3-[[(2S)-4-azanyl-2-bromanyl-4-oxidanylidene-butanoyl]amino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-[[(2S)-4-azanyl-2-bromanyl-4-oxidanylidene-butanoyl]amino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid Openeye Name: (2S)-3-[[(2S)-4-amino-2-bromo-4-oxo-butanoyl]amino]-2-[[(2S)-2-(tert-butoxycarbonylamino)pentanoyl]amino]propanoic acid CAS Name: (2S)-3-[[(2S)-4-amino-2-bromo-1,4-dioxobutyl]amino]-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-3-[[(2S)-4-amino-2-bromo-4-oxobutanoyl]amino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid Traditional Name: (2S)-3-[[(2S)-4-amino-2-bromo-4-keto-butanoyl]amino]-2-[[(2S)-2-(tert-butoxycarbonylamino)pentanoyl]amino]propionic acid Formula: C17H29BrN4O7 MolecularWeight: 481.33876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29BrN4O7/c1-5-6-10(22-16(28)29-17(2,3)4)14(25)21-11(15(26)27)8-20-13(24)9(18)7-12(19)23/h9-11H,5-8H2,1-4H3,(H2,19,23)(H,20,24)(H,21,25)(H,22,28)(H,26,27)/t9-,10-,11-/m0/s1