(2S)-5-(aminocarbonylamino)-2-[3-(6-bromanylindol-1-yl)propanoylamino]pentanoate

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[3-(6-bromanylindol-1-yl)propanoylamino]pentanoate Openeye Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-5-ureido-pentanoate CAS Name: (2S)-2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]-5-(carbamoylamino)pentanoate IUPAC Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-5-(carbamoylamino)pentanoate Traditional Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-5-ureido-valerate Formula: C17H20BrN4O4- MolecularWeight: 424.2691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CCC(=O)NC(CCCNC(=O)N)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)[O-])Br

InChI

InChI=1S/C17H21BrN4O4/c18-12-4-3-11-5-8-22(14(11)10-12)9-6-15(23)21-13(16(24)25)2-1-7-20-17(19)26/h3-5,8,10,13H,1-2,6-7,9H2,(H,21,23)(H,24,25)(H3,19,20,26)/p-1/t13-/m0/s1