2-[[2-[[2-[[2-[2-[[4-azanyl-2-[[2-[[2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[2-[[4-azanyl-2-[[2-[[2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[2-[[4-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[2-[[4-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[2-[[4-amino-2-[[2-[[2-(glycylamino)-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C43H74N18O13 MolecularWeight: 1051.16046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C43H74N18O13/c1-6-20(3)32(40(72)59-26(14-23-18-50-19-53-23)38(70)58-28(16-31(64)65)39(71)61-33(41(73)74)21(4)7-2)60-34(66)22(5)54-37(69)27(15-29(45)62)57-36(68)25(11-9-13-52-43(48)49)56-35(67)24(55-30(63)17-44)10-8-12-51-42(46)47/h18-22,24-28,32-33H,6-17,44H2,1-5H3,(H2,45,62)(H,50,53)(H,54,69)(H,55,63)(H,56,67)(H,57,68)(H,58,70)(H,59,72)(H,60,66)(H,61,71)(H,64,65)(H,73,74)(H4,46,47,51)(H4,48,49,52)