N-butyl-6-methyl-4-[[(2S)-4-methyl-2-(2-naphthalen-2-yloxyethanoylamino)pentanoyl]amino]-3-oxidanyl-heptanamide

Systemtic Name: N-butyl-6-methyl-4-[[(2S)-4-methyl-2-(2-naphthalen-2-yloxyethanoylamino)pentanoyl]amino]-3-oxidanyl-heptanamide Openeye Name: N-butyl-3-hydroxy-6-methyl-4-[[(2S)-4-methyl-2-[[2-(2-naphthyloxy)acetyl]amino]pentanoyl]amino]heptanamide CAS Name: N-butyl-3-hydroxy-6-methyl-4-[[(2S)-4-methyl-2-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopentyl]amino]heptanamide IUPAC Name: N-butyl-3-hydroxy-6-methyl-4-[[(2S)-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanoyl]amino]heptanamide Traditional Name: N-butyl-3-hydroxy-6-methyl-4-[[(2S)-4-methyl-2-[[2-(2-naphthoxy)acetyl]amino]pentanoyl]amino]enanthamide Formula: C30H45N3O5 MolecularWeight: 527.6954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)COC1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CCCCNC(=O)CC(C(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C30H45N3O5/c1-6-7-14-31-28(35)18-27(34)25(15-20(2)3)33-30(37)26(16-21(4)5)32-29(36)19-38-24-13-12-22-10-8-9-11-23(22)17-24/h8-13,17,20-21,25-27,34H,6-7,14-16,18-19H2,1-5H3,(H,31,35)(H,32,36)(H,33,37)/t25?,26-,27?/m0/s1