(2S)-2-[[(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2,6-diammonio-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2,6-diammoniohexanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C20H31N4O5+ MolecularWeight: 407.48394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCC[NH3+])[NH3+])C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCC[NH3+])[NH3+])C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C20H30N4O5/c21-10-2-1-4-15(22)19(27)24-11-3-5-17(24)18(26)23-16(20(28)29)12-13-6-8-14(25)9-7-13/h6-9,15-17,25H,1-5,10-12,21-22H2,(H,23,26)(H,28,29)/p+1/t15-,16-,17-/m0/s1