(2S)-5-(aminocarbonylamino)-N-[(2S)-1-[[(2S)-5-[bis(azanyl)methylamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]pentanamide

Systemtic Name: (2S)-5-(aminocarbonylamino)-N-[(2S)-1-[[(2S)-5-[bis(azanyl)methylamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]pentanamide Openeye Name: (2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-N-[(1S)-1-[[(1S)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-5-ureido-pentanamide CAS Name: (2S)-2-[[[[(1R)-1-(4-bromophenyl)ethyl]amino]-oxomethyl]amino]-5-(carbamoylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylamino)-1-oxo-1-(2-thiazolyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide IUPAC Name: (2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-5-(carbamoylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide Traditional Name: (2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-N-[(1S)-1-[[(1S)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-5-ureido-valeramide Formula: C29H45BrN10O5S MolecularWeight: 725.7006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCNC(N)N)C(=O)C1=NC=CS1)NC(=O)C(CCCNC(=O)N)NC(=O)NC(C)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)NC(=O)N[C@@H](CCCNC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)C2=NC=CS2

InChI

InChI=1S/C29H45BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22,27,35H,4-7,12-13,31-32H2,1-3H3,(H,38,43)(H,40,42)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1