(2S)-5-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[2-[[9,10-bis(oxidanylidene)phenanthren-3-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[2-[[9,10-bis(oxidanylidene)phenanthren-3-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[(9,10-dioxophenanthrene-3-carbonyl)amino]acetyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[[(2S)-1-[(2S)-5-amino-2-[[2-[[(9,10-dioxo-3-phenanthrenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[(9,10-dioxophenanthrene-3-carbonyl)amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[(9,10-diketophenanthrene-3-carbonyl)amino]acetyl]amino]-5-keto-pentanoyl]prolyl]amino]-5-keto-valeric acid Formula: C32H34N6O10 MolecularWeight: 662.64656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)C(=O)C4=CC=CC=C43)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)C(=O)C4=CC=CC=C43)C(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C32H34N6O10/c33-24(39)11-9-21(31(46)38-13-3-6-23(38)30(45)37-22(32(47)48)10-12-25(34)40)36-26(41)15-35-29(44)16-7-8-19-20(14-16)17-4-1-2-5-18(17)27(42)28(19)43/h1-2,4-5,7-8,14,21-23H,3,6,9-13,15H2,(H2,33,39)(H2,34,40)(H,35,44)(H,36,41)(H,37,45)(H,47,48)/t21-,22-,23-/m0/s1