(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoic acid Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C19H27N5O4/c20-8-4-3-7-16(19(27)28)24-17(25)11-23-18(26)14(21)9-12-10-22-15-6-2-1-5-13(12)15/h1-2,5-6,10,14,16,22H,3-4,7-9,11,20-21H2,(H,23,26)(H,24,25)(H,27,28)/t14-,16-/m0/s1