2-[[6-azanyl-2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[6-amino-2-[[5-guanidino-2-[[2-[[5-guanidino-2-(tyrosylamino)pentanoyl]amino]-3-hydroxy-propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C39H61N13O10 MolecularWeight: 871.98274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

InChI

InChI=1S/C39H61N13O10/c40-16-2-1-5-27(34(58)51-30(37(61)62)20-23-10-14-25(55)15-11-23)49-33(57)29(7-4-18-47-39(44)45)50-36(60)31(21-53)52-35(59)28(6-3-17-46-38(42)43)48-32(56)26(41)19-22-8-12-24(54)13-9-22/h8-15,26-31,53-55H,1-7,16-21,40-41H2,(H,48,56)(H,49,57)(H,50,60)(H,51,58)(H,52,59)(H,61,62)(H4,42,43,46)(H4,44,45,47)