(2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-oxobutyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-hydroxy-propionic acid Formula: C18H29N3O5 MolecularWeight: 367.43996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCC(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C18H29N3O5/c22-10-14(16(24)25)20-15(23)2-1-3-19-17(26)21-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-14,22H,1-10H2,(H,20,23)(H,24,25)(H2,19,21,26)/t11?,12?,13?,14-,18?/m0/s1