tert-butyl N-[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(naphthalen-2-ylamino)pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(naphthalen-2-ylamino)pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[2-[[(2S)-5-guanidino-2-(2-naphthylamino)pentanoyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(2-naphthalenylamino)-1-oxopentyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[2-[[(2S)-5-guanidino-2-(2-naphthylamino)pentanoyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C28H41N7O5 MolecularWeight: 555.66904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC(=O)C(CCCN=C(N)N)NC1=CC2=CC=CC=C2C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC2=CC=CC=C2C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H41N7O5/c1-17(2)23(35-27(39)40-28(3,4)5)25(38)32-16-22(36)34-24(37)21(11-8-14-31-26(29)30)33-20-13-12-18-9-6-7-10-19(18)15-20/h6-7,9-10,12-13,15,17,21,23,33H,8,11,14,16H2,1-5H3,(H,32,38)(H,35,39)(H4,29,30,31)(H,34,36,37)/t21-,23-/m0/s1