[4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[3-(5-oxidanylindol-1-yl)propylamino]butan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxidanylidene-propyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[3-(5-oxidanylindol-1-yl)propylamino]butan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxidanylidene-propyl]phenyl]methylphosphonic acid Openeye Name: [4-[(2S)-2-acetamido-3-[[1-[[(1S)-3-amino-1-[3-(5-hydroxyindol-1-yl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]cyclohexyl]amino]-3-oxo-propyl]phenyl]methylphosphonic acid CAS Name: [4-[(2S)-2-acetamido-3-[[1-[[[(2S)-4-amino-1-[3-(5-hydroxy-1-indolyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid IUPAC Name: [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(5-hydroxyindol-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid Traditional Name: [4-[(2S)-2-acetamido-3-[[1-[[(1S)-3-amino-1-[3-(5-hydroxyindol-1-yl)propylcarbamoyl]-3-keto-propyl]carbamoyl]cyclohexyl]amino]-3-keto-propyl]benzyl]phosphonic acid Formula: C34H45N6O9P MolecularWeight: 712.729661

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)CP(=O)(O)O)C(=O)NC2(CCCCC2)C(=O)NC(CC(=O)N)C(=O)NCCCN3C=CC4=C3C=CC(=C4)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)CP(=O)(O)O)C(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCN3C=CC4=C3C=CC(=C4)O

InChI

InChI=1S/C34H45N6O9P/c1-22(41)37-27(18-23-6-8-24(9-7-23)21-50(47,48)49)32(45)39-34(13-3-2-4-14-34)33(46)38-28(20-30(35)43)31(44)36-15-5-16-40-17-12-25-19-26(42)10-11-29(25)40/h6-12,17,19,27-28,42H,2-5,13-16,18,20-21H2,1H3,(H2,35,43)(H,36,44)(H,37,41)(H,38,46)(H,39,45)(H2,47,48,49)/t27-,28-/m0/s1