2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C59H104N16O12 MolecularWeight: 1229.55706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C59H104N16O12/c1-13-36(12)48(75-55(84)45(28-35(10)11)70-49(78)39(60)16-14-22-65-58(61)62)56(85)74-44(27-34(8)9)52(81)69-40(17-15-23-66-59(63)64)51(80)72-42(25-32(4)5)54(83)73-43(26-33(6)7)53(82)71-41(24-31(2)3)50(79)67-30-47(77)68-46(57(86)87)29-37-18-20-38(76)21-19-37/h18-21,31-36,39-46,48,76H,13-17,22-30,60H2,1-12H3,(H,67,79)(H,68,77)(H,69,81)(H,70,78)(H,71,82)(H,72,80)(H,73,83)(H,74,85)(H,75,84)(H,86,87)(H4,61,62,65)(H4,63,64,66)