2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 5-guanidino-2-[[2-(tyrosylamino)acetyl]amino]valeric acid Formula: C17H26N6O5 MolecularWeight: 394.42554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)N)O

InChI

InChI=1S/C17H26N6O5/c18-12(8-10-3-5-11(24)6-4-10)15(26)22-9-14(25)23-13(16(27)28)2-1-7-21-17(19)20/h3-6,12-13,24H,1-2,7-9,18H2,(H,22,26)(H,23,25)(H,27,28)(H4,19,20,21)