2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid Formula: C22H32N6O10 MolecularWeight: 540.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)C(CC(=O)N)N)O

Isomeric SMILES

CC(C(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)C(CC(=O)N)N)O

InChI

InChI=1S/C22H32N6O10/c1-10(30)18(28-19(35)13(23)7-16(24)32)22(38)27-15(9-29)21(37)26-14(20(36)25-8-17(33)34)6-11-2-4-12(31)5-3-11/h2-5,10,13-15,18,29-31H,6-9,23H2,1H3,(H2,24,32)(H,25,36)(H,26,37)(H,27,38)(H,28,35)(H,33,34)