tert-butyl N-[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[2-[[(2S)-5-guanidino-2-[(4-methyl-2-oxo-chromen-7-yl)amino]pentanoyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]pentyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[2-[[(2S)-5-guanidino-2-[(2-keto-4-methyl-chromen-7-yl)amino]pentanoyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]pentyl]carbamic acid tert-butyl ester Formula: C40H62N10O10 MolecularWeight: 842.98128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(=O)C(CCCN=C(N)N)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H62N10O10/c1-8-9-11-27(49-39(58)60-40(5,6)7)35(55)47-28(15-16-31(41)51)36(56)48-29(18-22(2)3)34(54)45-21-32(52)50-37(57)26(12-10-17-44-38(42)43)46-24-13-14-25-23(4)19-33(53)59-30(25)20-24/h13-14,19-20,22,26-29,46H,8-12,15-18,21H2,1-7H3,(H2,41,51)(H,45,54)(H,47,55)(H,48,56)(H,49,58)(H4,42,43,44)(H,50,52,57)/t26-,27-,28-,29-/m0/s1