2-[[2-[[2-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]pentanoic acid IUPAC Name: 2-[[2-[[2-[2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C36H62N10O8 MolecularWeight: 762.93968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C36H62N10O8/c1-20(2)17-27(34(52)46-28(18-21(3)4)33(51)43-26(35(53)54)10-8-16-41-36(39)40)44-30(48)22(5)42-32(50)29(19-23-11-13-24(47)14-12-23)45-31(49)25(38)9-6-7-15-37/h11-14,20-22,25-29,47H,6-10,15-19,37-38H2,1-5H3,(H,42,50)(H,43,51)(H,44,48)(H,45,49)(H,46,52)(H,53,54)(H4,39,40,41)