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

Systemtic Name: (3S,4S)-N-butyl-6-methyl-4-[[(2S)-3-methyl-2-(2-naphthalen-2-yloxyethanoylamino)pentanoyl]amino]-3-oxidanyl-heptanamide Openeye Name: (3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[2-(2-naphthyloxy)acetyl]amino]pentanoyl]amino]heptanamide CAS Name: (3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopentyl]amino]heptanamide IUPAC Name: (3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanoyl]amino]heptanamide Traditional Name: (3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[[(2S)-3-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(C(C)CC)NC(=O)COC1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C30H45N3O5/c1-6-8-15-31-27(35)18-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)19-38-24-14-13-22-11-9-10-12-23(22)17-24/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21?,25-,26-,29-/m0/s1