2-[[1-[2-[[2-[[1-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[1-[2-[[2-[[1-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[1-[2-[[2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[[1-[2-[[2-[[[1-[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[1-[2-[[2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 5-guanidino-2-[[1-[2-[[3-hydroxy-2-[[1-[3-hydroxy-2-(tyrosylamino)propanoyl]prolyl]amino]butanoyl]amino]propanoyl]prolyl]amino]valeric acid Formula: C35H54N10O11 MolecularWeight: 790.86366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C35H54N10O11/c1-18(32(53)44-14-4-7-25(44)29(50)41-23(34(55)56)6-3-13-39-35(37)38)40-31(52)27(19(2)47)43-30(51)26-8-5-15-45(26)33(54)24(17-46)42-28(49)22(36)16-20-9-11-21(48)12-10-20/h9-12,18-19,22-27,46-48H,3-8,13-17,36H2,1-2H3,(H,40,52)(H,41,50)(H,42,49)(H,43,51)(H,55,56)(H4,37,38,39)