3-azanyl-4-[4-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2-(2-azanyl-3-methyl-butanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-[2,6-bis(azanyl)hexanoyl]-6-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[4-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2-(2-azanyl-3-methyl-butanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-[2,6-bis(azanyl)hexanoyl]-6-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[4-(2-amino-5-guanidino-pentanoyl)-3-(2-amino-3-hydroxy-3-oxo-propyl)-2-(2-amino-3-methyl-butanoyl)-5-(2,6-diaminohexanoyl)-6-hydroxy-phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[4-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-3-(2-amino-3-hydroxy-3-oxopropyl)-2-(2-amino-3-methyl-1-oxobutyl)-5-(2,6-diamino-1-oxohexyl)-6-hydroxyphenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[4-[2-amino-5-(diaminomethylideneamino)pentanoyl]-3-(2-amino-3-hydroxy-3-oxopropyl)-2-(2-amino-3-methylbutanoyl)-5-(2,6-diaminohexanoyl)-6-hydroxyphenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[4-(2-amino-5-guanidino-pentanoyl)-3-(2-amino-3-hydroxy-3-keto-propyl)-2-(2-amino-3-methyl-butanoyl)-5-(2,6-diaminohexanoyl)-6-hydroxy-phenyl]-4-keto-butyric acid Formula: C30H49N9O9 MolecularWeight: 679.76496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=C(C(=C(C(=C1C(=O)C(CC(=O)O)N)O)C(=O)C(CCCCN)N)C(=O)C(CCCN=C(N)N)N)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)C1=C(C(=C(C(=C1C(=O)C(CC(=O)O)N)O)C(=O)C(CCCCN)N)C(=O)C(CCCN=C(N)N)N)CC(C(=O)O)N)N

InChI

InChI=1S/C30H49N9O9/c1-12(2)23(36)28(46)20-13(10-17(35)29(47)48)19(24(42)15(33)7-5-9-39-30(37)38)21(25(43)14(32)6-3-4-8-31)27(45)22(20)26(44)16(34)11-18(40)41/h12,14-17,23,45H,3-11,31-36H2,1-2H3,(H,40,41)(H,47,48)(H4,37,38,39)