2-[2-(2-benzamidopropanoylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[2-(2-benzamidopropanoylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-(2-benzamidopropanoylamino)acetyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[(2-benzamido-1-oxopropyl)amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-(2-benzamidopropanoylamino)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-(2-benzamidopropanoylamino)acetyl]amino]-5-guanidino-valeric acid Formula: C18H26N6O5 MolecularWeight: 406.43624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H26N6O5/c1-11(23-16(27)12-6-3-2-4-7-12)15(26)22-10-14(25)24-13(17(28)29)8-5-9-21-18(19)20/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)