2-[[1-[1-[2-[[1-[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-[1-[2-[[1-[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-[1-[2-[[1-[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-[[1-[2-[[[1-[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-[1-[2-[[1-[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-[1-[2-[[1-[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]prolyl]amino]-5-guanidino-pentanoyl]prolyl]prolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C48H80N20O10 MolecularWeight: 1097.2768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C48H80N20O10/c49-29(8-1-19-58-45(50)51)37(70)62-30(9-2-20-59-46(52)53)38(71)63-31(10-3-21-60-47(54)55)41(74)66-23-5-12-34(66)39(72)64-32(11-4-22-61-48(56)57)42(75)68-25-7-14-36(68)43(76)67-24-6-13-35(67)40(73)65-33(44(77)78)26-27-15-17-28(69)18-16-27/h15-18,29-36,69H,1-14,19-26,49H2,(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,77,78)(H4,50,51,58)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)