tert-butyl N-[(2R)-1-[(2S)-2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-[bis(ethylamino)methylideneamino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-[bis(ethylamino)methylideneamino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[(2S)-2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-5-[bis(ethylamino)methyleneamino]pentyl]carbamate CAS Name: N-[(2R)-1-[(2S)-2-[[[(2R)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-6-[bis(ethylamino)methylideneamino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-[bis(ethylamino)methylideneamino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(2S)-2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-5-[bis(ethylamino)methyleneamino]pentyl]carbamic acid tert-butyl ester Formula: C24H45N7O5 MolecularWeight: 511.658

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCCCCC(C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)OC(C)(C)C)NCC

Isomeric SMILES

CCNC(=NCCCC[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)OC(C)(C)C)NCC

InChI

InChI=1S/C24H45N7O5/c1-7-26-22(27-8-2)28-14-10-9-12-17(30-23(35)36-24(4,5)6)21(34)31-15-11-13-18(31)20(33)29-16(3)19(25)32/h16-18H,7-15H2,1-6H3,(H2,25,32)(H,29,33)(H,30,35)(H2,26,27,28)/t16-,17-,18+/m1/s1