(2R)-5-(aminocarbonylamino)-2-[3-(5-bromanylindol-1-yl)propanoylamino]pentanoic acid

Systemtic Name: (2R)-5-(aminocarbonylamino)-2-[3-(5-bromanylindol-1-yl)propanoylamino]pentanoic acid Openeye Name: (2R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-5-ureido-pentanoic acid CAS Name: (2R)-2-[[3-(5-bromo-1-indolyl)-1-oxopropyl]amino]-5-(carbamoylamino)pentanoic acid IUPAC Name: (2R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-5-(carbamoylamino)pentanoic acid Traditional Name: (2R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-5-ureido-valeric acid Formula: C17H21BrN4O4 MolecularWeight: 425.27704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCC(=O)NC(CCCNC(=O)N)C(=O)O)C=C1Br

Isomeric SMILES

C1=CC2=C(C=CN2CCC(=O)N[C@H](CCCNC(=O)N)C(=O)O)C=C1Br

InChI

InChI=1S/C17H21BrN4O4/c18-12-3-4-14-11(10-12)5-8-22(14)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)/t13-/m1/s1