N-[2-[2-[[(2S)-1-[[(2S)-1-(aminocarbonylamino)-4-methyl-pentan-2-yl]carbamoylamino]-3-phenyl-propan-2-yl]carbamoylamino]ethylcarbamoylamino]ethyl]ethanamide

Systemtic Name: N-[2-[2-[[(2S)-1-[[(2S)-1-(aminocarbonylamino)-4-methyl-pentan-2-yl]carbamoylamino]-3-phenyl-propan-2-yl]carbamoylamino]ethylcarbamoylamino]ethyl]ethanamide Openeye Name: N-[2-[2-[[(1S)-1-benzyl-2-[[(1S)-3-methyl-1-(ureidomethyl)butyl]carbamoylamino]ethyl]carbamoylamino]ethylcarbamoylamino]ethyl]acetamide CAS Name: N-[2-[[[2-[[[[(2S)-1-[[[[(2S)-1-(carbamoylamino)-4-methylpentan-2-yl]amino]-oxomethyl]amino]-3-phenylpropan-2-yl]amino]-oxomethyl]amino]ethylamino]-oxomethyl]amino]ethyl]acetamide IUPAC Name: N-[2-[2-[[(2S)-1-[[(2S)-1-(carbamoylamino)-4-methylpentan-2-yl]carbamoylamino]-3-phenylpropan-2-yl]carbamoylamino]ethylcarbamoylamino]ethyl]acetamide Traditional Name: N-[2-[2-[[(1S)-1-benzyl-2-[[(1S)-3-methyl-1-(ureidomethyl)butyl]carbamoylamino]ethyl]carbamoylamino]ethylcarbamoylamino]ethyl]acetamide Formula: C25H43N9O5 MolecularWeight: 549.66622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)N)NC(=O)NCC(CC1=CC=CC=C1)NC(=O)NCCNC(=O)NCCNC(=O)C

Isomeric SMILES

CC(C)C[C@@H](CNC(=O)N)NC(=O)NC[C@H](CC1=CC=CC=C1)NC(=O)NCCNC(=O)NCCNC(=O)C

InChI

InChI=1S/C25H43N9O5/c1-17(2)13-20(15-31-22(26)36)33-25(39)32-16-21(14-19-7-5-4-6-8-19)34-24(38)30-12-11-29-23(37)28-10-9-27-18(3)35/h4-8,17,20-21H,9-16H2,1-3H3,(H,27,35)(H3,26,31,36)(H2,28,29,37)(H2,30,34,38)(H2,32,33,39)/t20-,21-/m0/s1