5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[3-(4-hydroxyphenyl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[3-(4-hydroxyphenyl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanoic acid Openeye Name: 5-guanidino-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[3-(4-hydroxyphenyl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[[2-[[3-(4-hydroxyphenyl)-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[3-(4-hydroxyphenyl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[3-(4-hydroxyphenyl)-2-(prolylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]valeric acid Formula: C48H63N11O10S MolecularWeight: 986.14652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCN5

Isomeric SMILES

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCN5

InChI

InChI=1S/C48H63N11O10S/c1-27(54-44(65)38(23-28-11-15-31(60)16-12-28)58-42(63)35-9-5-20-51-35)41(62)57-39(24-29-13-17-32(61)18-14-29)45(66)59-40(25-30-26-53-34-8-4-3-7-33(30)34)46(67)55-36(19-22-70-2)43(64)56-37(47(68)69)10-6-21-52-48(49)50/h3-4,7-8,11-18,26-27,35-40,51,53,60-61H,5-6,9-10,19-25H2,1-2H3,(H,54,65)(H,55,67)(H,56,64)(H,57,62)(H,58,63)(H,59,66)(H,68,69)(H4,49,50,52)