methyl 2-[2-[2-[[(2S)-6-azanyl-1-[[(2S)-2-(2-azanylethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]-1-oxidanylidene-hexan-2-yl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[2-[2-[[(2S)-6-azanyl-1-[[(2S)-2-(2-azanylethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]-1-oxidanylidene-hexan-2-yl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[2-[2-[[(1S)-5-amino-1-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]carbamoyl]pentyl]amino]ethyl]thiazol-4-yl]thiazole-4-carboxylate CAS Name: 2-[2-[2-[[(2S)-6-amino-1-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxohexan-2-yl]amino]ethyl]-4-thiazolyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-[[(2S)-6-amino-1-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-1-oxohexan-2-yl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-[2-[[(1S)-5-amino-1-[[(2S)-2-(glycylamino)-3-(4H-imidazol-4-yl)propanoyl]carbamoyl]pentyl]amino]ethyl]thiazol-4-yl]thiazole-4-carboxylic acid methyl ester Formula: C24H33N9O5S2 MolecularWeight: 591.70612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(CCCCN)C(=O)NC(=O)C(CC3C=NC=N3)NC(=O)CN

Isomeric SMILES

COC(=O)C1=CSC(=N1)C2=CSC(=N2)CCN[C@@H](CCCCN)C(=O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)CN

InChI

InChI=1S/C24H33N9O5S2/c1-38-24(37)18-12-40-23(32-18)17-11-39-20(31-17)5-7-28-15(4-2-3-6-25)21(35)33-22(36)16(30-19(34)9-26)8-14-10-27-13-29-14/h10-16,28H,2-9,25-26H2,1H3,(H,30,34)(H,33,35,36)/t14?,15-,16-/m0/s1