(2S)-5-(aminocarbonylamino)-2-[2-(5-bromanylindol-1-yl)ethanoylamino]pentanoate

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[2-(5-bromanylindol-1-yl)ethanoylamino]pentanoate Openeye Name: (2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-5-ureido-pentanoate CAS Name: (2S)-2-[[2-(5-bromo-1-indolyl)-1-oxoethyl]amino]-5-(carbamoylamino)pentanoate IUPAC Name: (2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-5-(carbamoylamino)pentanoate Traditional Name: (2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-5-ureido-valerate Formula: C16H18BrN4O4- MolecularWeight: 410.24252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC(=O)NC(CCCNC(=O)N)C(=O)[O-])C=C1Br

Isomeric SMILES

C1=CC2=C(C=CN2CC(=O)N[C@@H](CCCNC(=O)N)C(=O)[O-])C=C1Br

InChI

InChI=1S/C16H19BrN4O4/c17-11-3-4-13-10(8-11)5-7-21(13)9-14(22)20-12(15(23)24)2-1-6-19-16(18)25/h3-5,7-8,12H,1-2,6,9H2,(H,20,22)(H,23,24)(H3,18,19,25)/p-1/t12-/m0/s1