3-[[5-azanyl-2-[[1-[2-[[2-[[2-[[2-[[5-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[5-azanyl-2-[[1-[2-[[2-[[2-[[2-[[5-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-4-[[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[5-amino-2-[[[1-[2-[[2-[[2-[[2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-4-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-4-[(2-amino-2-keto-1-methylol-ethyl)amino]-4-keto-butyric acid Formula: C49H89N25O15 MolecularWeight: 1268.38946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C49H89N25O15/c1-23(45(89)74-20-6-11-32(74)44(88)71-29(13-15-34(52)77)42(86)72-30(21-35(78)79)43(87)73-31(22-75)36(53)80)66-38(82)25(8-3-17-63-47(56)57)68-39(83)26(9-4-18-64-48(58)59)69-40(84)27(10-5-19-65-49(60)61)70-41(85)28(12-14-33(51)76)67-37(81)24(50)7-2-16-62-46(54)55/h23-32,75H,2-22,50H2,1H3,(H2,51,76)(H2,52,77)(H2,53,80)(H,66,82)(H,67,81)(H,68,83)(H,69,84)(H,70,85)(H,71,88)(H,72,86)(H,73,87)(H,78,79)(H4,54,55,62)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)