(4S)-5-[[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid Formula: C28H45N6O13P MolecularWeight: 704.663061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N)N)O

InChI

InChI=1S/C28H45N6O13P/c1-13(2)11-19(24(30)39)32-28(43)23(15(4)36)34-25(40)18(9-10-21(37)38)31-26(41)20(33-27(42)22(29)14(3)35)12-16-5-7-17(8-6-16)47-48(44,45)46/h5-8,13-15,18-20,22-23,35-36H,9-12,29H2,1-4H3,(H2,30,39)(H,31,41)(H,32,43)(H,33,42)(H,34,40)(H,37,38)(H2,44,45,46)/t14-,15-,18+,19+,20+,22+,23+/m1/s1