tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(2S)-2-[[(2S)-5-guanidino-2-[(4-methyl-2-oxo-chromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S)-2-[[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentyl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S)-2-[[(2S)-5-guanidino-2-[(2-keto-4-methyl-chromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C31H45N7O7 MolecularWeight: 627.7317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(CCCN=C(N)N)C(=O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H45N7O7/c1-17(2)25(36-30(43)45-31(4,5)6)28(42)38-14-8-10-22(38)27(41)37-26(40)21(9-7-13-34-29(32)33)35-19-11-12-20-18(3)15-24(39)44-23(20)16-19/h11-12,15-17,21-22,25,35H,7-10,13-14H2,1-6H3,(H,36,43)(H4,32,33,34)(H,37,40,41)/t21-,22-,25-/m0/s1