(3S)-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-5-quinazolin-4-yloxy-pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-5-quinazolin-4-yloxy-pentanoic acid Openeye Name: (3S)-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-4-oxo-5-quinazolin-4-yloxy-pentanoic acid CAS Name: (3S)-3-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxo-5-(4-quinazolinyloxy)pentanoic acid IUPAC Name: (3S)-3-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-4-oxo-5-quinazolin-4-yloxypentanoic acid Traditional Name: (3S)-4-keto-3-[[(2S)-3-methyl-2-[[2-(1-naphthoxy)acetyl]amino]butanoyl]amino]-5-quinazolin-4-yloxy-valeric acid Formula: C30H30N4O7 MolecularWeight: 558.5818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=NC=NC2=CC=CC=C21)NC(=O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=NC=NC2=CC=CC=C21)NC(=O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H30N4O7/c1-18(2)28(34-26(36)16-40-25-13-7-9-19-8-3-4-10-20(19)25)29(39)33-23(14-27(37)38)24(35)15-41-30-21-11-5-6-12-22(21)31-17-32-30/h3-13,17-18,23,28H,14-16H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t23-,28-/m0/s1