prop-2-enyl (2S)-2-azanyl-6-[[[bis(2-bromoethyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]hexanoate

Systemtic Name: prop-2-enyl (2S)-2-azanyl-6-[[[bis(2-bromoethyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]hexanoate Openeye Name: allyl (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]amino]hexanoate CAS Name: (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitro-2-furanyl)methoxy]phosphoryl]amino]hexanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]hexanoate Traditional Name: (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]amino]hexanoic acid allyl ester Formula: C18H29Br2N4O7P MolecularWeight: 604.227221

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CCCCNP(=O)(N(CCBr)CCBr)OCC1=CC=C(O1)[N+](=O)[O-])N

Isomeric SMILES

C=CCOC(=O)[C@H](CCCCNP(=O)(N(CCBr)CCBr)OCC1=CC=C(O1)[N+](=O)[O-])N

InChI

InChI=1S/C18H29Br2N4O7P/c1-2-13-29-18(25)16(21)5-3-4-10-22-32(28,23(11-8-19)12-9-20)30-14-15-6-7-17(31-15)24(26)27/h2,6-7,16H,1,3-5,8-14,21H2,(H,22,28)/t16-,32?/m0/s1