(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]-N-[3-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]-N-[3-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]-N-[3-[(9,10-dioxo-1-anthryl)amino]propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]-N-[3-[(9,10-dioxo-1-anthracenyl)amino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]-N-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]-N-[3-[(9,10-diketo-1-anthryl)amino]propyl]pyrrolidine-2-carboxamide Formula: C44H62N8O8 MolecularWeight: 831.01188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NCCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(=O)C(C)N

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(=O)[C@H](C)N

InChI

InChI=1S/C44H62N8O8/c1-7-13-32(50-40(56)27(6)45)42(58)51-33(22-25(2)3)41(57)48-24-36(53)49-34(23-26(4)5)44(60)52-21-11-18-35(52)43(59)47-20-12-19-46-31-17-10-16-30-37(31)39(55)29-15-9-8-14-28(29)38(30)54/h8-10,14-17,25-27,32-35,46H,7,11-13,18-24,45H2,1-6H3,(H,47,59)(H,48,57)(H,49,53)(H,50,56)(H,51,58)/t27-,32-,33-,34-,35-/m0/s1