(2S)-6-azanyl-2-[2-(2-azanylethanoylamino)ethanoylamino]-N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]propan-2-yl]amino]pentan-2-yl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[2-(2-azanylethanoylamino)ethanoylamino]-N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]propan-2-yl]amino]pentan-2-yl]hexanamide Openeye Name: (2S)-6-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[(1S)-1-[[(1S)-1-(hydroxymethyl)-2-[[(1S)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]hexanamide CAS Name: (2S)-6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-N-[(2S)-1-[[(2S)-3-hydroxy-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide IUPAC Name: (2S)-6-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[(2S)-1-[[(2S)-3-hydroxy-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide Traditional Name: (2S)-6-amino-2-[[2-(glycylamino)acetyl]amino]-N-[(1S)-1-[[(1S)-2-keto-2-[[(1S)-2-keto-1-methyl-ethyl]amino]-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]hexanamide Formula: C22H41N7O7 MolecularWeight: 515.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(C)C=O)NC(=O)C(CCCCN)NC(=O)CNC(=O)CN

Isomeric SMILES

C[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN

InChI

InChI=1S/C22H41N7O7/c1-13(2)8-16(21(35)29-17(12-31)22(36)26-14(3)11-30)28-20(34)15(6-4-5-7-23)27-19(33)10-25-18(32)9-24/h11,13-17,31H,4-10,12,23-24H2,1-3H3,(H,25,32)(H,26,36)(H,27,33)(H,28,34)(H,29,35)/t14-,15-,16-,17-/m0/s1