tert-butyl N-[(2R)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(3S)-6-[bis(azanyl)methylideneamino]-1,2-bis(oxidanylidene)-1-(phenethylamino)hexan-3-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(3S)-6-[bis(azanyl)methylideneamino]-1,2-bis(oxidanylidene)-1-(phenethylamino)hexan-3-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-4-guanidino-1-[[2-[[(1S)-4-guanidino-1-[2-oxo-2-(phenethylamino)acetyl]butyl]amino]-2-oxo-ethyl]carbamoyl]butyl]carbamate CAS Name: N-[(2R)-5-(diaminomethylideneamino)-1-[[2-[[(3S)-6-(diaminomethylideneamino)-1,2-dioxo-1-(phenethylamino)hexan-3-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[2-[[(3S)-6-(diaminomethylideneamino)-1,2-dioxo-1-(phenethylamino)hexan-3-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1R)-4-guanidino-1-[[2-[[(1S)-4-guanidino-1-[2-keto-2-(phenethylamino)acetyl]butyl]amino]-2-keto-ethyl]carbamoyl]butyl]carbamic acid tert-butyl ester Formula: C28H46N10O6 MolecularWeight: 618.72824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C28H46N10O6/c1-28(2,3)44-27(43)38-20(12-8-15-35-26(31)32)23(41)36-17-21(39)37-19(11-7-14-34-25(29)30)22(40)24(42)33-16-13-18-9-5-4-6-10-18/h4-6,9-10,19-20H,7-8,11-17H2,1-3H3,(H,33,42)(H,36,41)(H,37,39)(H,38,43)(H4,29,30,34)(H4,31,32,35)/t19-,20+/m0/s1