2-[[2-[[2-[2-[[2-[[1-[2-[[4-azanyl-2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[[2-[2-[[2-[[1-[2-[[4-azanyl-2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[2-[2-[[2-[[1-[2-[[4-amino-2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[[1-[2-[[4-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[2-[2-[[2-[[1-[2-[[4-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[2-[2-[[2-[[1-[2-[[4-amino-2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C56H95N17O13 MolecularWeight: 1214.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C56H95N17O13/c1-10-31(8)44(52(83)65-32(9)45(76)67-37(24-28(2)3)48(79)66-36(15-12-22-64-56(61)62)47(78)70-40(54(85)86)26-33-17-19-34(74)20-18-33)72-50(81)41-16-13-23-73(41)53(84)39(25-29(4)5)69-49(80)38(27-42(58)75)68-51(82)43(30(6)7)71-46(77)35(57)14-11-21-63-55(59)60/h17-20,28-32,35-41,43-44,74H,10-16,21-27,57H2,1-9H3,(H2,58,75)(H,65,83)(H,66,79)(H,67,76)(H,68,82)(H,69,80)(H,70,78)(H,71,77)(H,72,81)(H,85,86)(H4,59,60,63)(H4,61,62,64)