4-azanyl-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-phenethyl-butanamide

Systemtic Name: 4-azanyl-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-phenethyl-butanamide Openeye Name: 4-amino-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-phenethyl-butanamide CAS Name: 4-amino-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinyl]methyl]-N-phenethylbutanamide IUPAC Name: 4-amino-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-phenethylbutanamide Traditional Name: 4-amino-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-phenethyl-butyramide Formula: C27H45N5O3 MolecularWeight: 487.6779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)CCCN)C(C)(C)C)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCC2=CC=CC=C2)C(=O)CCCN)C(C)(C)C)NC

InChI

InChI=1S/C27H45N5O3/c1-20(29-5)25(34)30-24(27(2,3)4)26(35)32-17-10-13-22(32)19-31(23(33)14-9-16-28)18-15-21-11-7-6-8-12-21/h6-8,11-12,20,22,24,29H,9-10,13-19,28H2,1-5H3,(H,30,34)/t20-,22-,24+/m0/s1