disodium (2S)-3-indol-1-id-3-yl-2-[[(2S)-4-methyl-2-[[2-naphthalen-2-ylethyl(oxidanyl)phosphoryl]amino]pentanoyl]amino]propanoate

Systemtic Name: disodium (2S)-3-indol-1-id-3-yl-2-[[(2S)-4-methyl-2-[[2-naphthalen-2-ylethyl(oxidanyl)phosphoryl]amino]pentanoyl]amino]propanoate Openeye Name: disodium (2S)-2-[[(2S)-2-[[hydroxy-[2-(2-naphthyl)ethyl]phosphoryl]amino]-4-methyl-pentanoyl]amino]-3-indol-1-id-3-yl-propanoate CAS Name: disodium (2S)-2-[[(2S)-2-[[hydroxy-[2-(2-naphthalenyl)ethyl]phosphoryl]amino]-4-methyl-1-oxopentyl]amino]-3-(3-indol-1-idyl)propanoate IUPAC Name: disodium (2S)-2-[[(2S)-2-[[hydroxy(2-naphthalen-2-ylethyl)phosphoryl]amino]-4-methylpentanoyl]amino]-3-indol-1-id-3-ylpropanoate Traditional Name: disodium (2S)-2-[[(2S)-2-[[hydroxy-[2-(2-naphthyl)ethyl]phosphoryl]amino]-4-methyl-pentanoyl]amino]-3-indol-1-id-3-yl-propionate Formula: C29H32N3Na2O5P MolecularWeight: 579.534781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=C[N-]C2=CC=CC=C21)C(=O)[O-])NP(=O)(CCC3=CC4=CC=CC=C4C=C3)O.[Na+].[Na+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=C[N-]C2=CC=CC=C21)C(=O)[O-])NP(=O)(CCC3=CC4=CC=CC=C4C=C3)O.[Na+].[Na+]

InChI

InChI=1S/C29H33N3O5P.2Na/c1-19(2)15-26(32-38(36,37)14-13-20-11-12-21-7-3-4-8-22(21)16-20)28(33)31-27(29(34)35)17-23-18-30-25-10-6-5-9-24(23)25;;/h3-12,16,18-19,26-27H,13-15,17H2,1-2H3,(H,31,33)(H,34,35)(H2,32,36,37);;/q-1;2*+1/p-1/t26-,27-;;/m0../s1