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

Systemtic Name: (2S)-1-[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-N-[3-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-N-[3-[(9,10-dioxo-1-anthryl)amino]propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-N-[3-[(9,10-dioxo-1-anthracenyl)amino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-N-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-N-[3-[(9,10-diketo-1-anthryl)amino]propyl]pyrrolidine-2-carboxamide Formula: C54H66N8O8 MolecularWeight: 955.15064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCCCNC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCCCNC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C54H66N8O8/c1-5-34(4)47(61-51(67)42(30-35-17-8-6-9-18-35)60-50(66)40(55)29-33(2)3)53(69)58-32-45(63)59-43(31-36-19-10-7-11-20-36)54(70)62-28-15-25-44(62)52(68)57-27-16-26-56-41-24-14-23-39-46(41)49(65)38-22-13-12-21-37(38)48(39)64/h6-14,17-24,33-34,40,42-44,47,56H,5,15-16,25-32,55H2,1-4H3,(H,57,68)(H,58,69)(H,59,63)(H,60,66)(H,61,67)/t34-,40-,42-,43-,44-,47-/m0/s1