2-[[2-[[2-[[2-[[2-[[1-[2-[2-[[2-[[2-(2-acetamidopropanoylamino)-3-oxidanyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[1-[2-[2-[[2-[[2-(2-acetamidopropanoylamino)-3-oxidanyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[1-[2-[2-[[2-[[2-(2-acetamidopropanoylamino)-3-hydroxy-propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[(2-acetamido-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[1-[2-[2-[[2-[[2-(2-acetamidopropanoylamino)-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[1-[2-[2-[[2-[[2-(2-acetamidopropanoylamino)-3-hydroxy-propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid Formula: C49H81N21O17 MolecularWeight: 1236.29794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)O)NC(=O)C

Isomeric SMILES

CC(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)O)NC(=O)C

InChI

InChI=1S/C49H81N21O17/c1-23(61-25(3)73)38(78)68-32(20-71)44(84)64-28(10-12-35(50)74)41(81)62-24(2)39(79)66-30(8-5-15-58-49(54)55)47(87)70-16-6-9-34(70)46(86)69-33(21-72)45(85)65-29(11-13-36(51)75)43(83)63-27(7-4-14-57-48(52)53)42(82)67-31(17-26-18-56-22-60-26)40(80)59-19-37(76)77/h18,22-24,27-34,71-72H,4-17,19-21H2,1-3H3,(H2,50,74)(H2,51,75)(H,56,60)(H,59,80)(H,61,73)(H,62,81)(H,63,83)(H,64,84)(H,65,85)(H,66,79)(H,67,82)(H,68,78)(H,69,86)(H,76,77)(H4,52,53,57)(H4,54,55,58)