(2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; 1,1-dicyclopentylcyclopentane

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; 1,1-dicyclopentylcyclopentane Openeye Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; 1,1-dicyclopentylcyclopentane CAS Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; 1,1-dicyclopentylcyclopentane IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; 1,1-dicyclopentylcyclopentane Traditional Name: (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; 1,1-dicyclopentylcyclopentane Formula: C59H74N8O8 MolecularWeight: 1023.26766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CCCC2)C3CCCC3.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

C1CCC(C1)C2(CCCC2)C3CCCC3.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C15H26.4C11H12N2O2/c1-2-8-13(7-1)15(11-5-6-12-15)14-9-3-4-10-14;4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h13-14H,1-12H2;4*1-4,6,9,13H,5,12H2,(H,14,15)/t;4*9-/m.0000/s1