(2S)-2-[[2-(acetamidocarbamoylamino)-4-azanyl-butanoyl]amino]-6-azanyl-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-[[2-(acetamidocarbamoylamino)-4-azanyl-butanoyl]amino]-6-azanyl-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-[[2-(acetamidocarbamoylamino)-4-amino-butanoyl]amino]-6-amino-N-benzyl-hexanamide CAS Name: (2S)-2-[[2-[[(acetylhydrazo)-oxomethyl]amino]-4-amino-1-oxobutyl]amino]-6-amino-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-[[2-(acetamidocarbamoylamino)-4-aminobutanoyl]amino]-6-amino-N-benzylhexanamide Traditional Name: (2S)-2-[[2-(acetamidocarbamoylamino)-4-amino-butanoyl]amino]-6-amino-N-benzyl-hexanamide Formula: C20H33N7O4 MolecularWeight: 435.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NNC(=O)NC(CCN)C(=O)NC(CCCCN)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NNC(=O)NC(CCN)C(=O)N[C@@H](CCCCN)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C20H33N7O4/c1-14(28)26-27-20(31)25-17(10-12-22)19(30)24-16(9-5-6-11-21)18(29)23-13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-13,21-22H2,1H3,(H,23,29)(H,24,30)(H,26,28)(H2,25,27,31)/t16-,17?/m0/s1